SCHEMBL9508372

SCHEMBL9508372

N#Cc1ccsc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
NSD2 O96028 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CASP6 P55212 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL3714838 0.78 MAPT (0.37) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL12835678 0.72 DPP4 (0.41) KDM4EALDH1A1ARPOLB
SCHEMBL4406241 0.71 RECQL (0.31) KDM4ECASP1CASP7LMNAMAPT
Hydrochloric Acid SCHEMBL1514647 0.71 DPP4 (0.40) KDM4EALDH1A1AR
Hydrochloric Acid SCHEMBL1514410 0.71 DPP4 (0.40) KDM4EALDH1A1AR
SCHEMBL4406238 0.70 GRM5 (0.38)
SCHEMBL30748520 0.69 KDM4E (0.58) KDM4EHTTCASP1CASP7NSD2
SCHEMBL140064 0.69 KDM4E (0.58) KDM4EHTTCASP1CASP7NSD2
SCHEMBL3399423 0.67 HSD17B10 (0.59) KDM4EHTTCASP1CASP7NSD2
SCHEMBL9911010 0.67 MAPT (0.41) KDM4ELMNAMAPTTSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247618-B1 TRISAZO DYES CONTAINING HETEROCYCLES BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
US-4784668-A DYES FOR INKS BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0247618-A2 Trisazo dyes containing heterocycles BASF Aktiengesellschaft (DE) 1987-12-02 EP disclosed