SCHEMBL27853095

SCHEMBL27853095

CN(C)c1ccc(-c2cn(CCCC#N)cn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.39
ICMT O60725 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GRM2 Q14416 1/20 0.35
APP P05067 2/20 0.35
AURKB Q96GD4 3/20 0.35

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
SCHEMBL27853096 0.84 CYP2C9 (0.42) SYKGAARAB9ACYP2E1CYP3A4
SCHEMBL4870253 0.82 SYK (0.47) SYKICMTNPC1POLBGAA
SCHEMBL27853098 0.82 CA2 (0.39) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27853099 0.81 CA2 (0.38) SYKNPC1GAARAB9ACYP2E1
SCHEMBL27853097 0.81 CA12 (0.38) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL28791762 0.81 CA12 (0.40) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27835085 0.81 CYP11B2 (0.38) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27835096 0.81 EP300 (0.36) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27853094 0.77 CA12 (0.37) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27835093 0.76 CYP2A6 (0.62) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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
CN-102030738-A Novel imidazole compound, preparation method and use thereof JUBILANT ORGANOSYS LTD 2011-04-27 CN claimed
CN-102030738-A Novel imidazole compound, preparation method and use thereof JUBILANT ORGANOSYS LTD 2011-04-27 CN disclosed