SCHEMBL5583616

SCHEMBL5583616

COc1ccnc(C(=O)Nc2ccccn2)c1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 2/20 0.63
MEN1 O00255 1/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.63
F2 P00734 1/20 0.56
GRM5 P41594 3/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ALOX12 P18054 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.47
HIF1A Q16665 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
SCHEMBL5583719 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11729473 0.79 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL5583568 0.79 MEN1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5583672 0.78 SCN9A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14284458 0.78 EGLN1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL14637696 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL29764989 0.77 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL2237038 0.77 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL5583820 0.77 RAB9A (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5583684 0.77 KDM4E (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed