SCHEMBL28102450

SCHEMBL28102450

N=C(N)c1ccc(NC(=O)c2ccccc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.72
F10 P00742 3/20 0.60
DEGS1 O15121 1/20 0.57
RAB9A P51151 8/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 7/20 0.54
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL11308749 0.88 HCAR3 (0.77) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL2664544 0.84 HCAR3 (1.00) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL6515262 0.84 HCAR3 (0.70) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL28102586 0.83 DEGS1 (0.69) F10DEGS1RAB9AKMT2ANPC1
SCHEMBL2664558 0.82 HCAR3 (0.68) HCAR3F10DEGS1RAB9AKMT2A
SCHEMBL2664535 0.80 HCAR3 (0.69) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL30354834 0.80 HCAR3 (0.69) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL14505713 0.79 HCAR3 (0.72) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL29220747 0.78 HCAR3 (0.71) HCAR3DEGS1RAB9AKMT2AKDM4E
SCHEMBL29519035 0.78 DEGS1 (0.82) HCAR3DEGS1RAB9AKMT2AKDM4E

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-102933578-B Cyano-quinoline derivatives 天津和美生物技术有限公司 2016-09-07 CN disclosed