SCHEMBL2787017

SCHEMBL2787017

COc1ccc(SNC(=O)Nc2noc3cccc(N(C)C)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
KIT P10721 2/20 0.42
KDR P35968 2/20 0.42
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
S1PR1 P21453 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL2787210 0.90 KIT (0.41) MAPTSMN1; SMN2TP53KITKDR
SCHEMBL2784783 0.89 MAPT (0.39) MAPTSMN1; SMN2TP53KDM4ENPC1
SCHEMBL2785840 0.89 NOX1 (0.36) MAPTSMN1; SMN2TP53KITKDR
SCHEMBL2785719 0.89 AURKB (0.42) MAPTSMN1; SMN2TP53KITKDR
SCHEMBL2784439 0.83 KIT (0.39) MAPTTP53KITKDRHIF1A
SCHEMBL2786452 0.83 MAPT (0.46) MAPTSMN1; SMN2TP53KITKDR
SCHEMBL2783769 0.82 USP2 (0.36) MAPTSMN1; SMN2TP53HIF1AKDM4E
SCHEMBL2785205 0.79 ALDH1A1 (0.38) MAPTSMN1; SMN2TP53HIF1AKDM4E
SCHEMBL2785125 0.77 MAPT (0.35) MAPTSMN1; SMN2TP53KITKDR
SCHEMBL2768714 0.77 CYP1A2 (0.48) MAPTSMN1; SMN2KITKDRHIF1A

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed