SCHEMBL1848299

SCHEMBL1848299

COc1ccc(-c2sc(C(=O)NC(=O)C3(c4ccccc4)CCNCC3)cc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.47
OPRD1 P41143 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CLK1 P49759 2/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL1848627 0.90 ROCK2 (0.38) EP300MAPTROCK2HDAC1CNR1
SCHEMBL1852052 0.88 EP300 (0.39) EP300MAPTROCK2HDAC1CNR1
SCHEMBL1849353 0.88 EP300 (0.36) EP300MEN1KMT2ARXFP1MAPT
SCHEMBL1847877 0.87 EP300 (0.37) EP300MEN1KMT2ARXFP1NPC1
SCHEMBL1847919 0.87 EP300 (0.37) EP300MEN1KMT2ARXFP1NPC1
SCHEMBL1848723 0.85 EP300 (0.36) EP300MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1848054 0.83 PRKAB2 (0.38) EP300MAPTROCK2HDAC1CNR1
SCHEMBL1850509 0.83 HDAC1 (0.38) EP300MAPTROCK2HDAC1CNR1
SCHEMBL476315 0.81 ROCK2 (0.35) ALDH1A1SMN1; SMN2KDM4ENPSR1ROCK2
SCHEMBL1846542 0.80 EP300 (0.35) EP300MEN1KMT2ASMN1; SMN2NPC1

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-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed