SCHEMBL2723261

SCHEMBL2723261

CCCCCCCc1c(CCCCCCC)c2ncsc2c2scnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.38
ALDH1A1 P00352 1/20 0.37
KCNH2 Q12809 1/20 0.36
CXCR2 P25025 1/20 0.35
ALOX5 P09917 3/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL12925096 0.80 GPR35 (0.37) GPR35CXCR2ALOX5MAPT
SCHEMBL12925115 0.76 GPR35 (0.37) GPR35CXCR2ALOX5MAPT
SCHEMBL16683764 0.73 NR5A1 (0.37) ALDH1A1CXCR2
SCHEMBL24023361 0.72 ALDH1A1 (0.58) ALDH1A1KCNH2MAPTSMN1; SMN2
SCHEMBL27019720 0.72 ALDH1A1 (0.58) ALDH1A1KCNH2MAPTSMN1; SMN2
SCHEMBL24023174 0.72 KCNH2 (0.37) ALDH1A1KCNH2
SCHEMBL9039937 0.72 ALOX5 (0.48) GPR35ALOX5NPC1MAPTSTAT3
SCHEMBL5542542 0.68 NFKB1 (0.36) GPR35ALDH1A1NPC1MAPTRAB9A
SCHEMBL17008157 0.67 TSHR (0.57) ALDH1A1KCNH2
SCHEMBL13630791 0.67 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630179-B1 CONJUGATED POLYMERS RAYNERGY TEK INC (TW) 2021-04-14 EP disclosed
US-9559303-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9559303-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9559303-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
EP-2630179-A1 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2013-08-28 EP disclosed
US-20130214208-A1 Conjugated Polymers MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130214208-A1 Conjugated Polymers MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130214208-A1 Conjugated Polymers MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012052099-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012052099-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed