SCHEMBL8197860

SCHEMBL8197860

O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.68
NPC1 O15118 1/20 0.68
TP53 P04637 1/20 0.68
GAA P10253 1/20 0.68
NFKB1 P19838 1/20 0.68
HTT P42858 1/20 0.68
RAB9A P51151 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
F2 P00734 1/20 0.65
PLG P00747 1/20 0.65
PLAU P00749 1/20 0.65
PLAT P00750 1/20 0.65
KLKB1 P03952 1/20 0.65
PRSS1 P07477 1/20 0.65
ITGB3 P05106 2/20 0.63
ITGA2 P17301 2/20 0.63
SLC2A1 P11166 2/20 0.62
ITGA2B P08514 1/20 0.60

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
SCHEMBL29431209 0.94 MELK (0.76) MELKNPC1TP53GAANFKB1
SCHEMBL4566270 0.94 MELK (0.76) MELKNPC1TP53GAANFKB1
SCHEMBL531914 0.88 NPC1 (0.66) MELKNPC1TP53GAANFKB1
SCHEMBL24892142 0.87 MELK (0.87) MELKNPC1TP53NFKB1RAB9A
SCHEMBL28778476 0.86 MELK (0.90) MELKNPC1TP53GAANFKB1
SCHEMBL14863153 0.86 PLAU (0.61) MELKNPC1TP53GAANFKB1
Hydrochloric Acid SCHEMBL28778457 0.85 MELK (0.88) MELKNPC1TP53NFKB1HTT
Hydrochloric Acid SCHEMBL8550787 0.85 PLAU (0.60) MELKNPC1RAB9AF2PLG
SCHEMBL3658561 0.84 F2 (0.57) MELKF2PLGPLAUPLAT
Hydrochloric Acid SCHEMBL1188323 0.83 NPC1 (0.65) MELKNPC1TP53RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed