SCHEMBL14435330

SCHEMBL14435330

O=C1Cn2c(c(C3CCCCC3)c3ccc(C(=O)CO)cc32)-c2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 3/20 0.40
SCN9A Q15858 1/20 0.40
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
GSK3B P49841 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL874916 0.90 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACCNB2
SCHEMBL925855 0.87 CDK1 (0.46) PRKCAMMP12NR1I2SCN9ACCNB2
SCHEMBL14263673 0.86 SCN9A (0.38) PRKCAMMP12SCN9AGSK3BCDK5
SCHEMBL14435944 0.85 SCN9A (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL991506 0.84 PRKCA (0.39) PRKCAMMP12NR1I2SCN9ACCNB2
SCHEMBL14253194 0.83 SCN9A (0.62) NR1I2SCN9A
SCHEMBL792582 0.83 CCNB2 (0.39) PRKCAMMP12NR1I2CCNB2CDK1
SCHEMBL5256403 0.82 OPRM1 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL14253262 0.82 NR1I2 (0.62) PRKCAMMP12NR1I2SCN9A
SCHEMBL14253314 0.82 CYP3A4 (0.41) PRKCAMMP12NR1I2SCN9A

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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed