SCHEMBL164931

SCHEMBL164931

Cl[Ni]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 4/20 0.35
NPSR1 Q6W5P4 1/20 0.33
DRD1 P21728 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BBOX1 O75936 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7101958 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL2697473 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL11675272 1.00 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL8853066 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL6939765 0.97 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL561726 0.87 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL3181354 0.87 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL9420677 0.87 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL1951204 0.87 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL81285 0.87 TDP1 (0.86) CYP3A4TDP1ESR1ESR2KDM4E

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 1759 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059975-A Eight-membered ring condensed boron dipyrrole compound and preparation method thereof 中国科学院宁波材料技术与工程研究所 2026-05-19 CN claimed
CN-119191946-B Electrophilic cross-coupling method of aryl perfluoro butyl sulfonate and aryl bromide 南京工业大学 2026-05-15 CN claimed
CN-116969864-B Synthesis method of aromatic sulfonyl fluoride compound 江南大学 2025-06-24 CN claimed
CN-120157616-A Method for synthesizing full-carbon quaternary carbon stereogenic center compound by nickel-catalyzed asymmetric amino group 浙江大学 2025-06-17 CN claimed
CN-120157192-A Ni (OH) synthesized by taking organic heterocycle as template2Ultrathin nanosheets and preparation method thereof 黄冈师范学院 2025-06-17 CN claimed
CN-116947865-B Synthesis method of risperidone intermediate and Li Sipu-blue intermediate 扬州联澳生物医药有限公司 2025-06-13 CN claimed
CN-120118016-A 1, 1-Di (indolyl) olefin compound and preparation method and application thereof 华南理工大学 2025-06-10 CN claimed
CN-120081813-A Two-photon initiator, preparation method and application 西安江大微纳材料科技有限公司 2025-06-03 CN claimed
CN-115651017-B Method for selectively preparing benzyl or alkyl phosphine oxide compound based on benzyl thioether derivative 中南大学 2025-05-27 CN claimed
CN-120025238-A Method for photochemically synthesizing alpha, beta-unsaturated ketone 南京师范大学 2025-05-23 CN claimed
US-6153810-A Highly selective process for making o-arylbenzonitriles OCCIDENTAL CHEMICAL CORPORATION (US) 2000-11-28 US claimed
US-5917079-A Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1999-06-29 US claimed
US-5874606-A Process for making o-arylbenzonitriles OCCIDENTAL CHEMICAL CORPORATION (US) 1999-02-23 US claimed
EP-0876369-A1 2- 2- (2-HYDROXYETHYL)AMINO]ETHYL]-5- 2-METHYLAMINO)ETHYL]AMINO]INDAZOLO 4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1998-11-11 EP claimed
EP-0831083-A1 Process for synthesizing benzoic acids ROHM AND HAAS COMPANY (US) 1998-03-25 EP claimed
WO-1997010245-A1 2-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-5-[[2-METHYLAMINO)ETHYL]AMINO]INDAZOLO[4,3-gh]ISOQUINOLIN-6(2H)-ONE AS ANTITUMOR AGENT BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1997-03-20 WO claimed
US-5608097-A Process for preparation of silane compounds of which chlorine atoms of C-C1 bonds have been reduced KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1997-03-04 US claimed
US-4990647-A Process for the preparation of unsymmetric biaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US claimed
EP-0184384-B1 SUBSTITUTED DIHYDROQUINOLONE CARBOXYLIC ACIDS, ANTI-BACTERIAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1989-08-02 EP claimed
EP-0184384-A1 Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them PFIZER INC. (US) 1986-06-11 EP claimed