SCHEMBL7982480

SCHEMBL7982480

COc1ccccc1Nc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.69
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
GAA P10253 2/20 0.66
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
GFER P55789 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.63
KDM4E B2RXH2 2/20 0.63
ALOX12 P18054 1/20 0.63
EGFR P00533 1/20 0.62
JAK2 O60674 1/20 0.59
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
JAK3 P52333 1/20 0.59
AURKA O14965 1/20 0.56
PKM P14618 2/20 0.55
TP53 P04637 2/20 0.53

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
SCHEMBL20004385 0.81 EGFR (0.71) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL1518631 0.81 MAPK10 (1.00) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL29501509 0.81 EGFR (0.61) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL3642226 0.81 MAPK10 (0.51) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL3279571 0.80 MEN1 (1.00) MAPK10NPC1RAB9AALDH1A1GAA
SCHEMBL30968559 0.79 MAPK10 (0.61) MAPK10NPC1RAB9AALDH1A1KMT2A
SCHEMBL30968557 0.79 MAPK10 (0.61) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL22470327 0.79 MAPK10 (0.61) MAPK10NPC1RAB9AALDH1A1KMT2A
SCHEMBL22470339 0.79 MAPK10 (0.61) MAPK10NPC1RAB9AALDH1A1MAPT
SCHEMBL13689760 0.78 KMT2A (0.66) MAPK10NPC1RAB9AALDH1A1MAPT

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
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed