SCHEMBL896520

SCHEMBL896520

O=Cc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
ALDH3A1 P30838 2/20 0.61
ALDH1A3 P47895 2/20 0.61
CYP2A6 P11509 2/20 0.48
CYP2A13 Q16696 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
EGFR P00533 4/20 0.45
ERBB2 P04626 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 2/20 0.45
THPO P40225 2/20 0.45
PMP22 Q01453 2/20 0.45
GMNN O75496 1/20 0.45
CYP2D6 P10635 1/20 0.45
GABRA1 P14867 1/20 0.45
TSHR P16473 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9840917 0.91 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL7249091 0.90 ALDH1A1 (0.71) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL11089785 0.88 ALDH1A1 (0.58) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL11087044 0.87 ALDH1A1 (0.47) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL8724096 0.85 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL5397293 0.85 ALDH1A1 (0.53) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL11581161 0.83 ALDH1A1 (0.47) ALDH1A1ALDH3A1ALDH1A3CYP2A6EGFR
Alanine SCHEMBL6664541 0.83 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL13360116 0.81 ALDH1A1 (0.63) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL70784 0.80 CYP2A6 (0.55) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119265639-B Preparation process of 6N high-purity nickel 光微半导体材料(宁波)有限公司 2025-06-03 CN claimed
CN-119140020-B Metal extractant microcapsule and preparation method thereof 光微半导体材料(宁波)有限公司 2025-06-03 CN claimed
CN-118255798-B Fluorescent probe for detecting polarity change, preparation method thereof and detection kit 山东第二医科大学 2025-05-13 CN claimed
CN-119874613-A Aggregation-induced emission fluorescent probe for detecting cuprous ions Cu (I), and preparation method and application thereof 中国科学院理化技术研究所 2025-04-25 CN claimed
CN-119059960-B Hg (Hg) detection method for double-channel detection2+And Ag+Near infrared fluorescent probe of (2), preparation method and application thereof 宁波大学 2025-01-28 CN claimed
CN-119118891-A Efficient metal chelating agent and preparation method and application thereof 光微半导体材料(宁波)有限公司 2024-12-13 CN claimed
CN-119059960-A Hg (Hg) detection method for double-channel detection2+And Ag+Near infrared fluorescent probe of (2), preparation method and application thereof 宁波大学 2024-12-03 CN claimed
CN-119019393-A 1H-imidazo [4,5-B ] pyridylazine derivative, and preparation method and application thereof 广东海洋大学 2024-11-26 CN claimed
CN-118930544-A 8-Nitrogen mustard phenyl-7H-purine derivative with antitumor activity and preparation method and application thereof 广东海洋大学 2024-11-12 CN claimed
CN-118908896-A 4- (1H-benzo [ d ] imidazole-2-yl) -N, N-bis (2-chloroethyl) aniline derivative and preparation method and application thereof 广东海洋大学 2024-11-08 CN claimed
CN-115403552-A Near-infrared ratiometric fluorescent probe for single-excitation detection of cuprous ions, preparation and application 中国科学院理化技术研究所 2022-11-29 CN claimed
CN-115108928-A Nitrogen mustard-tetralone derivative as well as preparation method and application thereof 广东海洋大学 2022-09-27 CN claimed
CN-114591189-A Anthracene and nitrogen mustard substituted alpha, beta unsaturated ketone compound and preparation and application thereof 广东海洋大学 2022-06-07 CN claimed
CN-114524741-A Synthesis process of antitumor drug melphalan 上海龙翔生物医药开发有限公司 2022-05-24 CN claimed
CN-113387892-B Imidazole heterocyclic derivative containing nitrogen mustard and preparation method and application thereof 广东海洋大学 2022-02-01 CN claimed
CN-113387892-A Imidazole heterocyclic derivative containing nitrogen mustard and preparation method and application thereof 广东海洋大学 2021-09-14 CN claimed
CN-112940046-B Tribipyridyl iron/ruthenium complex containing nitrogen mustard, and synthesis method and application thereof 广东海洋大学 2021-08-24 CN claimed
CN-112961103-B Triterpyridine ligand containing nitrogen mustard and preparation method and application thereof 广东海洋大学 2021-07-30 CN claimed
CN-112961103-A Triterpyridine ligand containing nitrogen mustard and preparation method and application thereof 广东海洋大学 2021-06-15 CN claimed
CN-112940046-A Tribipyridyl iron/ruthenium complex containing nitrogen mustard, and synthesis method and application thereof 广东海洋大学 2021-06-11 CN claimed