SCHEMBL36522

SCHEMBL36522

O=C(O)C=Cc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TLK2 Q86UE8 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HCAR2 Q8TDS4 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6343787 1.00 KDM4E (0.43) KDM4EBLMNPSR1CYP3A4TSHR
Hydrochloric Acid SCHEMBL31210282 0.98 KDM4E (0.42) KDM4EBLMNPSR1CYP3A4TSHR
Acrylic Acid SCHEMBL27907066 0.93 KDM4E (0.39) KDM4EBLMNPSR1CYP3A4TSHR
SCHEMBL11052747 0.86 NPC1 (0.41) KDM4ETLK2NPC1RAB9AALDH1A1
SCHEMBL16532725 0.82 NPC1 (0.39) KDM4ETLK2NPC1RAB9AALDH1A1
SCHEMBL19890619 0.82 NPC1 (0.39) TLK2NPC1RAB9ACA1CA2
SCHEMBL21176619 0.82 NPC1 (0.39) TLK2NPC1RAB9ACA1CA2
SCHEMBL16853978 0.82 TLK2 (0.42) KDM4ETLK2NPC1RAB9AALDH1A1
SCHEMBL10670142 0.80 TBXAS1 (0.37) KDM4ETLK2NPC1RAB9AALDH1A1
SCHEMBL7502776 0.79 RAB9A (0.55) KDM4ECYP3A4TLK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058199-B UV-cured super-hydrophilic anti-fog coating and preparation method and application thereof 深圳南科新材科技有限公司 2022-11-08 CN claimed
CN-111154830-B Fungus detection kit and application thereof 北京大学 2022-08-09 CN claimed
CN-114058199-A UV-cured super-hydrophilic anti-fog coating and preparation method and application thereof 深圳南科新材科技有限公司 2022-02-18 CN claimed
CN-113024573-A Epodophyllotoxin derivative, preparation method and application thereof in preparation of antitumor drugs 江苏百奥信康医药科技有限公司 2021-06-25 CN claimed
CN-105148750-A Method for modifying surface of polyamide composite film UNIV ZHEJIANG 2015-12-16 CN claimed
CN-102867648-B Containing vinyl imidazole segmented polymer gel electrolyte and its preparation method and application EAST CHINA NORMAL UNIVERSITY (CN) 2015-10-28 CN claimed
WO-2014090832-A1 TANNIN DERIVATIVE AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAID TANNIN DERIVATIVE SANDOZ AG (CH) 2014-06-19 WO claimed
CN-102867648-A Vinylimidazole segment-containing polymer gel electrolyte and preparation method and application thereof UNIV EAST CHINA NORMAL 2013-01-09 CN claimed
US-20110262892-A1 METHODS FOR DETECTION OR MEASUREMENT OF VIRUSES AOYAGI KATSUMI 2011-10-27 US claimed
EP-0967484-B1 METHODS FOR DETECTING OR ASSAYING VIRUS ADVANCED LIFE SCIENCE INST INC (JP) 2007-05-02 EP claimed
EP-0967484-A1 METHODS FOR DETECTING OR ASSAYING VIRUS Advanced Life Science Institute, Inc. (JP) 1999-12-29 EP claimed
US-5475016-A Hypotensive, anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US claimed
US-5294633-A Hypotensive, atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1994-03-15 US claimed
CN-1077711-A The imidazolylpropenoic acid derivatives that cycloalkyl and heterocyclic radical replace BAYER AG (DE) 1993-10-27 CN claimed
CN-1075963-A The imidazolylpropenoic acid derivatives that Sulphonylbenzyl replaces BAYER AG (DE) 1993-09-08 CN claimed
US-5225428-A Hypotensive and anti-atherosclerotic agents BAYER AKTIENGESELLSCHAFT (DE) 1993-07-06 US claimed
JP-5213937-A None JP disclosed
JP-6116244-A None JP disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0294016-A2 Factor XIIIa inhibitor compounds useful for thrombolytic therapy MERCK & CO. INC. (US) 1988-12-07 EP disclosed