SCHEMBL1996245

SCHEMBL1996245

O=C(Br)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.62
CES1 P23141 3/20 0.62
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ALDH1A1 P00352 3/20 0.56
GSK3B P49841 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
SRD5A2 P31213 1/20 0.52
MAPK1 P28482 1/20 0.52
PTGS2 P35354 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL11613862 0.87 POLB (0.52) CES2CES1ALOX15TSHRCA1
SCHEMBL688186 0.85 TP53 (0.47) CES2CES1TSHRCA1CA2
SCHEMBL9173480 0.77 SRD5A2 (0.55) ALDH1A1MAPTL3MBTL1LMNASRD5A2
SCHEMBL9769554 0.77 RAB9A (0.46) TSHRGSK3BMAPTLMNASRD5A2
SCHEMBL51827 0.77 SRD5A2 (0.80) CES2CES1ALOX15TSHRCA1
SCHEMBL10697158 0.77 SRD5A2 (0.80) CES2CES1ALOX15TSHRCA1
SCHEMBL273857 0.77 CES2 (1.00) CES2CES1ALOX15TSHRCA1
SCHEMBL9065412 0.77 SRD5A2 (0.80) CES2CES1ALOX15TSHRCA1
SCHEMBL2000442 0.77 CES2 (0.68) CES2CES1ALOX15TSHRCA1
SCHEMBL1681512 0.77 SRD5A2 (0.80) CES2CES1ALOX15TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120082181-A PBAT/bamboo powder biodegradable composite master batch, preparation method thereof and composite film 国际竹藤中心 2025-06-03 CN claimed
CN-116023242-A Preparation method of aromatic dihalogen substituted compound, aromatic dihalogen substituted compound and application 中国科学院大连化学物理研究所 2023-04-28 CN claimed
CN-120082181-A PBAT/bamboo powder biodegradable composite master batch, preparation method thereof and composite film 国际竹藤中心 2025-06-03 CN disclosed
CN-116023242-A Preparation method of aromatic dihalogen substituted compound, aromatic dihalogen substituted compound and application 中国科学院大连化学物理研究所 2023-04-28 CN disclosed
CN-110573503-B Pyrrole derivatives as PLK1 inhibitors 圣提内尔肿瘤学有限公司 2023-03-17 CN disclosed
CN-112898964-A Sky blue light organic electroluminescent material and preparation method thereof 华南理工大学 2021-06-04 CN disclosed
CN-110573503-A pyrrole derivatives as PLK1 inhibitors 圣提内尔肿瘤学有限公司 2019-12-13 CN disclosed
CN-110483510-A A kind of preparation method of piece spiral shell element analog derivative UNIV NANJING INFORMATION SCIENCE & TECH 2019-11-22 CN disclosed
EP-2352724-B1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND THEIR MEDICAL USE UNIV MICHIGAN (US) 2015-04-22 EP disclosed
US-8773745-B2 Electrochromic material KYUSHU UNIVERSITY (JP) 2014-07-08 US disclosed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-4127657-A ANTIINFLAMMATORY, CNS DEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4122116-A HERBICIDES DEUTSCHE GOLD- UND SILBER- SCHEIDEANSTALT VORMALS ROESSLER (DE) 1978-10-24 US disclosed
US-4108877-A REACTING ACYL HALIDE WITH COPPER CYANIDE WITH HEATING IN THE PRESENCE OF A CARBOXYLIC ACID NITRILE AND AN ORGANIC SOLVENT DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1978-08-22 US disclosed
US-4070466-A ANTIINFLAMMATORY, CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-01-24 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-3979410-A Intermediate α-acyl-β-dialkylamino-2-nitrostyrenes HOFFMANN-LA ROCHE INC. (US) 1976-09-07 US disclosed
US-3970671-A XANTHENE, PRESSURE SENSITIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1976-07-20 US disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 US disclosed
US-3931225-A Process for preparing o-nitrobenzylketones HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed