SCHEMBL28294110

SCHEMBL28294110

Oc1ccccc1-c1ccc2nc[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 7/20 1.00
QPCT Q16769 6/20 1.00
ALOX5AP P20292 3/20 0.50
FEN1 P39748 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PRKCI P41743 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.48
AR P10275 1/20 0.46
TERT O14746 1/20 0.45
MAPT P10636 1/20 0.45
RAD52 P43351 1/20 0.45
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL28294109 0.87 QPCT (0.77) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL8634290 0.78 QPCT (0.68) QPCTLQPCTKDM4EALDH1A1HPGD
SCHEMBL27824937 0.78 QPCT (0.64) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL30341875 0.78 QPCT (0.63) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL2462345 0.78 QPCT (0.68) QPCTLQPCTKDM4EALDH1A1HPGD
SCHEMBL627763 0.77 QPCT (0.62) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL28178022 0.76 QPCT (0.61) QPCTLQPCTKDM4EALDH1A1HPGD
SCHEMBL27824987 0.76 QPCT (0.61) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL15639725 0.75 QPCT (0.60) QPCTLQPCTALOX5APFEN1KDM4E
SCHEMBL27824936 0.75 QPCT (0.59) QPCTLQPCTALOX5APFEN1KDM4E

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