SCHEMBL766052

SCHEMBL766052

O=C(O)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.61
ERBB2 P04626 5/20 0.61
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HIF1A Q16665 3/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
MAPT P10636 2/20 0.56
NFKB1 P19838 2/20 0.56
THPO P40225 2/20 0.56
PMP22 Q01453 2/20 0.56
GMNN O75496 1/20 0.56
CYP2D6 P10635 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 3/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL8193682 0.91 EGFR (0.69) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7711919 0.90 EGFR (0.52) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7471413 0.89 EGFR (0.58) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL9435935 0.86 EGFR (0.52) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL7462603 0.84 EGFR (0.60) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL28471467 0.83 NR1H4 (0.57) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL11980711 0.82 EGFR (0.63) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL28280620 0.82 EGFR (0.58) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL29763168 0.82 HDAC6 (0.53) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A
SCHEMBL1066049 0.82 EGFR (0.49) EGFRERBB2ALDH1A1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603647-B PARP inhibitor-alkylation bifunctional molecule and preparation method and application thereof 潍坊医学院 2023-01-31 CN claimed
CN-112979744-B Diosgenin mosaic nitrogen mustard derivative with anti-tumor activity and preparation method and application thereof 齐齐哈尔医学院 2022-02-15 CN claimed
CN-113603647-A PARP inhibitor-alkylation bifunctional molecule and preparation method and application thereof 潍坊医学院 2021-11-05 CN claimed
EP-0408546-B1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RES CAMPAIGN TECH (GB) 1994-04-27 EP claimed
CN-118878468-B Diamino pyrimidine compound containing phenyl nitrogen mustard fragment and preparation method and application thereof 贵州大学 2026-05-19 CN disclosed
CN-119192193-A Oridonin derivative and preparation method and application thereof 深圳职业技术大学 2024-12-27 CN disclosed
CN-119039281-A Preparation method and application of luteolin nitrogen mustard derivative 黑龙江八一农垦大学 2024-11-29 CN disclosed
CN-118878468-A Diamino pyrimidine compound containing phenyl nitrogen mustard fragment and preparation method and application thereof 贵州大学 2024-11-01 CN disclosed
CN-113979954-B Tinich antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2024-09-13 CN disclosed
CN-115925712-B Targeted antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2024-08-09 CN disclosed
CN-115925712-A Targeted antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2023-04-07 CN disclosed
CN-113603647-B PARP inhibitor-alkylation bifunctional molecule and preparation method and application thereof 潍坊医学院 2023-01-31 CN disclosed
WO-1990015819-A1 IRREVERSIBLE BOMBESIN ANTAGONISTS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-12-27 WO disclosed
EP-0402852-A1 Irreversible bombesin antagonists FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-19 EP disclosed
US-4938897-A Chlorambucil derivatives and cell-discriminating agent containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-07-03 US disclosed
EP-0208446-B1 FLUORESCENT SUBSTANCE FOR USE AS A CELL-DISCRIMINATING AGENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-14 EP disclosed
WO-1989010140-A1 FURTHER IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1989-11-02 WO disclosed
EP-0208446-A1 Fluorescent substance for use as a cell-discriminating agent KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-01-14 EP disclosed
US-4181669-A A CARBODIIMIDE WITH ACID CATALYSTS AS A CONDENSATION AGENT AKTIEBOLAGET LEO (SE) 1980-01-01 US disclosed
US-4180504-A Method for the preparation of esters AKTIEBOLAGET LEO (SE) 1979-12-25 US disclosed