SCHEMBL28294112

SCHEMBL28294112

CCc1ccc(-c2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.53
QPCTL Q9NXS2 7/20 0.53
ABCB1 P08183 1/20 0.49
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
MMP12 P39900 1/20 0.47
PRKCI P41743 1/20 0.47

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
SCHEMBL18844011 0.87 METAP2 (0.40) QPCTQPCTLABCB1BRD4CREBBP
SCHEMBL7901545 0.86 PRKCI (0.53) QPCTMMP12PRKCI
SCHEMBL28872961 0.84 QPCTL (0.51) QPCTQPCTL
SCHEMBL8634290 0.84 QPCT (0.68) QPCTQPCTLBRD4CREBBPMMP12
SCHEMBL28292424 0.83 QPCT (0.53) QPCTQPCTLABCB1BRD4CREBBP
SCHEMBL13136956 0.80 QPCT (0.48) QPCTQPCTLABCB1BRD4CREBBP
SCHEMBL2462345 0.79 QPCT (0.68) QPCTQPCTLBRD4CREBBPPRKCI
SCHEMBL38665709 0.77 QPCT (0.66) QPCTQPCTLBRD4CREBBPMMP12
SCHEMBL7021141 0.77 QPCT (0.66) QPCTQPCTLBRD4CREBBPMMP12
SCHEMBL28178020 0.77 PSMD11 (0.64) QPCTQPCTLBRD4CREBBPPRKCI

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
CN-106866543-B A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase 福建医科大学 2019-05-14 CN disclosed