SCHEMBL2787618

SCHEMBL2787618

CN(C)c1cccc2onc(SNC(=O)Nc3cccc(Cl)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
MAPT P10636 9/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2785339 0.84 HIF1A (0.45) KDRKITFLT3MEN1KMT2A
SCHEMBL2786010 0.76 CYP1A2 (0.43) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL2770206 0.74 GAA (0.51) MEN1KMT2AMAPTALDH1A1
SCHEMBL2784439 0.72 KIT (0.39) KDRKITFLT3MAPTLMNA
SCHEMBL2785082 0.71 NPC1 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2783769 0.71 USP2 (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2785840 0.70 NOX1 (0.36) KDRKITFLT3MAPTNPC1
SCHEMBL2785719 0.70 AURKB (0.42) KDRKITFLT3MAPTNPC1
SCHEMBL2785205 0.69 ALDH1A1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL2787147 0.69 BRAF (0.49) KDRKITFLT3MEN1KMT2A

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