SCHEMBL6830387

SCHEMBL6830387

NC(=O)N(CCc1ccccc1)C(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CA2 P00918 3/20 0.53
TAAR1 Q96RJ0 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.44
BACE1 P56817 1/20 0.44
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL6830779 0.84 PPARG (0.49) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL6831360 0.81 PTPRB (0.49) RAB9ACA2PTPN1CA1CA12
SCHEMBL6830389 0.79 NPC1 (0.52) RAB9ANPC1SMN1; SMN2TP53TAAR1
SCHEMBL6800540 0.79 NPC1 (0.59) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL6800534 0.79 NPC1 (0.59) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL7442005 0.77 CA2 (0.74) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL7442014 0.77 CA2 (0.74) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL4366751 0.76 CA2 (0.67) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL27659000 0.76 CA2 (0.67) RAB9ANPC1SMN1; SMN2TP53CA2
SCHEMBL6830382 0.76 CTSS (0.47) CA2

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed