SCHEMBL14199035

SCHEMBL14199035

O=c1[nH]c2ccccc2n1-c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
AURKA O14965 4/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
DAO P14920 1/20 0.47
HSP90AA1 P07900 5/20 0.47
KDM4E B2RXH2 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44

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
SCHEMBL16818091 0.77 TYMP (0.39) CDK5CDK5R1ADORA3MEN1KMT2A
SCHEMBL4172313 0.73 CDK5 (0.50) CDK5CDK5R1AURKALMNAMAPT
SCHEMBL699273 0.73 LMNA (0.65) AURKALMNAMAPTDAOHSP90AA1
SCHEMBL29367625 0.73 LMNA (0.65) AURKALMNAMAPTDAOHSP90AA1
SCHEMBL23119573 0.72 CDK5 (0.59) CDK5CDK5R1AURKALMNAMAPT
SCHEMBL31151770 0.72 KDM4E (0.46) LMNAMAPTKDM4EPOLBMEN1
SCHEMBL7139964 0.72 KDM4E (0.46) LMNAMAPTKDM4EPOLBMEN1
SCHEMBL7949067 0.72 POLB (0.33) CDK5CDK5R1LMNAMAPTKDM4E
SCHEMBL30583952 0.69 GABRP (0.56) CDK5CDK5R1AURKALMNAMAPT
SCHEMBL23119726 0.69 HSP90AA1 (0.56) AURKALMNAMAPTDAOHSP90AA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829430-A Sulfenamides as flame retardants 松原国际股份有限公司 2016-08-03 CN claimed
CN-105829430-A Sulfenamides as flame retardants 松原国际股份有限公司 2016-08-03 CN disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed