SCHEMBL476323

SCHEMBL476323

O=C(O)c1sc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
DHODH Q02127 1/20 0.38
CNR1 P21554 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL2683604 0.85 SLC6A3 (0.49) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL476241 0.82 TP53 (0.41) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL10487805 0.78 FNTA (0.48) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL2682815 0.74 TP53 (0.48) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3549304 0.72 SRD5A2 (0.45) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL6451632 0.71 MCL1 (0.42) SMN1; SMN2CYP2C9GRIA4PTPN1
SCHEMBL17013379 0.70 CHRNA7 (0.54) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL11656580 0.70 POLB (0.53) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL12484010 0.69 CHRNA7 (0.55)
SCHEMBL476369 0.69 SRD5A2 (0.45) KDM4ENPC1RAB9ASMN1; SMN2POLB

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-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed