SCHEMBL28294114

SCHEMBL28294114

NCc1cccc(-c2ccc3nc[nH]c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.56
QPCTL Q9NXS2 6/20 0.56
CDK8 P49336 1/20 0.48
PRKCI P41743 1/20 0.47
FGFR2 P21802 2/20 0.47
FGFR3 P22607 2/20 0.47
FGFR1 P11362 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28292424 0.89 QPCT (0.53) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL28294113 0.88 CDK8 (0.48) QPCTQPCTLCDK8FGFR2FGFR3
SCHEMBL7026387 0.82 PRKCI (0.58) QPCTQPCTLPRKCIKDM4EMAPT
Hydrochloric Acid SCHEMBL7220540 0.80 KDM4E (0.59) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL8634290 0.80 QPCT (0.68) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL22418756 0.79 QPCT (0.64) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL2462345 0.79 QPCT (0.68) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL23227763 0.76 QPCT (0.60) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL29804755 0.76 QPCT (0.60) QPCTQPCTLPRKCIKDM4EMAPT
SCHEMBL14308045 0.76 HRH3 (0.47) QPCTQPCTLPRKCIKDM4EMAPT

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