SCHEMBL845292

SCHEMBL845292

CCn1nc(C)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(C)nn3CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
PABPC1 P11940 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 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
SCHEMBL845251 0.80 PABPC1 (0.50) KMT2AALDH1A1PABPC1TSHRHTT
SCHEMBL845282 0.79 CYP2C9 (0.47) KMT2AALDH1A1RHOCRHOAPABPC1
SCHEMBL845295 0.78 KDM4E (0.61) KMT2AALDH1A1PABPC1TSHRNPSR1
SCHEMBL845338 0.78 RHOC (0.48) KMT2AALDH1A1RHOCRHOAPABPC1
SCHEMBL845367 0.77 ALDH1A1 (0.47) KMT2AALDH1A1TSHRNPSR1POLB
SCHEMBL845341 0.77 CYP2C9 (0.43) KMT2AALDH1A1RHOCRHOAPOLB
SCHEMBL845333 0.76 PABPC1 (0.48) KMT2AALDH1A1RHOCRHOAPABPC1
SCHEMBL845422 0.76 KMT2A (0.46) KMT2AALDH1A1RHOCRHOAPABPC1
SCHEMBL845008 0.76 ALDH1A1 (0.54) KMT2AALDH1A1TSHRNPSR1POLB
SCHEMBL845570 0.76 TP53BP1 (0.45) ALDH1A1RHOCRHOAPABPC1KDM4E

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