SCHEMBL2787210

SCHEMBL2787210

COc1cccc(SNC(=O)Nc2noc3cccc(N(C)C)c23)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
HIF1A Q16665 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
EDNRA P25101 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2787017 0.90 MAPT (0.43) KITKDRHIF1ASMN1; SMN2NPC1
SCHEMBL2783769 0.87 USP2 (0.36) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2784439 0.84 KIT (0.39) KITKDRHIF1AMAPTTP53
SCHEMBL2785719 0.83 AURKB (0.42) KITKDRSMN1; SMN2NPC1RAB9A
SCHEMBL2785840 0.83 NOX1 (0.36) KITKDRHIF1ASMN1; SMN2NPC1
SCHEMBL2784783 0.82 MAPT (0.39) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2786452 0.81 MAPT (0.46) KITKDRHIF1ASMN1; SMN2RAB9A
SCHEMBL2438912 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL2785205 0.78 ALDH1A1 (0.38) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2785392 0.77 MAPT (0.42) HIF1ASMN1; SMN2NPC1RAB9AEDNRA

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