SCHEMBL7143330

SCHEMBL7143330

CCC(C(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 7/20 0.61
KDM4E B2RXH2 5/20 0.61
HPGD P15428 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HSD17B10 Q99714 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALOX15 P16050 3/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
MAPK10 P53779 1/20 0.61
POLB P06746 1/20 0.43
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL5096639 0.80 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6999373 0.79 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL24489106 0.79 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7003377 0.79 ALDH1A1 (0.80) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7003325 0.78 MAPT (0.64) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL24489126 0.78 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL24489125 0.77 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7144734 0.77 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7002936 0.77 KDM4E (0.62) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL7002312 0.76 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed