SCHEMBL5682138

SCHEMBL5682138

CS(=O)(=O)OC(NCc1ccc(OCc2ccccc2)cc1)(C(N)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 1/20 0.46
BCHE P06276 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
MAOB P27338 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL5681586 0.90 PARP15 (0.50) PARP10MAOB
SCHEMBL5681627 0.90 GID4 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5684437 0.88 SCN3A (0.55) PARP10MAOB
SCHEMBL5684175 0.85 MAOB (0.56) PARP10MAOB
SCHEMBL5680344 0.81 MAOB (0.49) PARP10MAOB
SCHEMBL5684098 0.78 MAOB (0.53) PARP10MAOB
SCHEMBL5684577 0.77 FFAR1 (0.49) CA12CA1CA2CA9MAOB
SCHEMBL3257304 0.75 BCHE (0.51) NPC1RAB9ASMN1; SMN2PARP10BCHE
SCHEMBL5684554 0.75 TP53 (0.41) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL8938136 0.73 SMN1; SMN2 (0.43) ALDH1A1NPC1HPGDRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044186-B9 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-06-21 EP disclosed
EP-1044186-B1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-03-08 EP disclosed
US-6303819-B1 SODIUM CHANNEL-BLOCKING AGENT; CHRONIC OR NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-16 US disclosed
EP-1044186-A1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS Newron Pharmaceuticals S.p.A. (IT) 2000-10-18 EP disclosed
WO-1999035123-A1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARMACEUTICALS S.P.A. (IT) 1999-07-15 WO disclosed