SCHEMBL1850453

SCHEMBL1850453

O=C(NC(=O)C1(c2ccccc2)CCNCC1)c1cc(-c2ccc(OCCCOC3CCCCO3)cc2)c(-c2ccc(F)cc2Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EP300 Q09472 5/20 0.34
CDK9 P50750 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL1846922 0.93 MEN1 (0.40) MEN1KMT2AEP300TACR1
SCHEMBL1846958 0.87 MEN1 (0.36) MEN1KMT2AEP300
SCHEMBL1846837 0.87 PRKAB2 (0.37) EP300CDK9CHRM2CHRM1CHRM3
SCHEMBL1849014 0.87 MEN1 (0.35) MEN1KMT2AEP300
SCHEMBL1847077 0.84 EP300 (0.36) EP300TACR1
SCHEMBL1847309 0.84 EP300 (0.36) EP300CDK9CHRM2CHRM1CHRM3
SCHEMBL1848429 0.83 MEN1 (0.51) MEN1KMT2A
SCHEMBL1850456 0.82 MEN1 (0.38) MEN1KMT2ATACR1
SCHEMBL2158549 0.81 MEN1 (0.44) MEN1KMT2AEP300
SCHEMBL1848054 0.80 PRKAB2 (0.38) EP300TACR1

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