SCHEMBL874042

SCHEMBL874042

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(F)ccc3F)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 2/20 0.39
ALOX12 P18054 1/20 0.39
DHODH Q02127 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSMB8 P28062 2/20 0.38
HTT P42858 1/20 0.37
FLT3 P36888 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
SCHEMBL845343 0.91 KMT2A (0.50) KMT2AMEN1RHOCRHOANPSR1
SCHEMBL874056 0.89 TRPV1 (0.42) KMT2AMEN1RHOCRHOANPSR1
SCHEMBL845871 0.86 KMT2A (0.48) KMT2AMEN1RHOCRHOANPSR1
SCHEMBL874313 0.82 MAPK1 (0.50) KMT2AMEN1THRBTSHRHTT
SCHEMBL873856 0.81 HCRTR1 (0.45) KMT2AMEN1DHODHTSHRMAPT
SCHEMBL873862 0.81 ALDH1A1 (0.45) NPSR1TRPV1TSHRHTT
SCHEMBL874324 0.81 MAPK1 (0.42) TRPV1HTT
SCHEMBL10119315 0.81 MAPT (0.40) KMT2AMEN1TRPV1MAPTSMN1; SMN2
SCHEMBL872532 0.81 TRPV1 (0.44) TRPV1HTT
SCHEMBL10119502 0.81 CYP2C9 (0.39) RHOCRHOATRPV1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed