SCHEMBL14128778

SCHEMBL14128778

CC(=O)OC1CCC(Oc2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.47
▸ MAPT P10636 1/20 0.47
▸ EPHX2 P34913 4/20 0.42
▸ MAP4K4 O95819 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2J2 P51589 2/20 0.40
▸ ACACB O00763 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL9642077 0.88 PARP10 (0.49) EPHX2MAP4K4ACACBPARP10
SCHEMBL26351289 0.83 EPHX2 (0.42) CYP19A1MAPTEPHX2MAP4K4CYP2C9
SCHEMBL20400026 0.82 HRH1 (0.43) MAPTEPHX2MAP4K4CYP2C9CYP2J2
SCHEMBL31540092 0.82 HRH1 (0.43) MAPTEPHX2MAP4K4CYP2C9CYP2J2
SCHEMBL21525587 0.78 ACSL1 (0.49) EPHX2MAP4K4CYP2C9CYP2J2
SCHEMBL21997067 0.78 EPHX2 (0.43) CYP19A1MAPTEPHX2MAP4K4CYP2C9
SCHEMBL22849321 0.78 EPHX2 (0.43) CYP19A1MAPTEPHX2MAP4K4CYP2C9
SCHEMBL14654942 0.77 CYP19A1 (0.49) CYP19A1EPHX2GRIN1GRIN2B
SCHEMBL29324903 0.77 EPHX2 (0.41) CYP19A1MAPTEPHX2MAP4K4CYP2C9
SCHEMBL14634351 0.77 EPHX2 (0.41) CYP19A1MAPTEPHX2MAP4K4CYP2C9

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-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 — — WO disclosed
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