SCHEMBL845871

SCHEMBL845871

Cc1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cc(F)ccc4F)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
USP2 O75604 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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 0.95 KMT2A (0.50) KMT2AMEN1ALDH1A1RHOCRHOA
SCHEMBL874042 0.86 KMT2A (0.43) KMT2AMEN1RHOCRHOANPSR1
SCHEMBL845290 0.83 HCRTR1 (0.52) KMT2AMEN1ALDH1A1HCRTR1HCRTR2
SCHEMBL845257 0.83 TRPV1 (0.48) KMT2AMEN1ALDH1A1RHOCRHOA
SCHEMBL845629 0.80 TSHR (0.50) KMT2AMEN1ALDH1A1RHOCRHOA
SCHEMBL845008 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1NPSR1TSHR
SCHEMBL845539 0.79 HCRTR1 (0.54) KMT2AMEN1ALDH1A1HCRTR1HCRTR2
SCHEMBL845284 0.78 MAPK1 (0.58) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL845000 0.77 RHOC (0.51) ALDH1A1RHOCRHOATSHR
SCHEMBL844996 0.77 CYP2C9 (0.50) KMT2AMEN1ALDH1A1GAATRPV1

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