SCHEMBL9525322

SCHEMBL9525322

Cc1cccc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.56
TRPV1 Q8NER1 4/20 0.55
GAA P10253 1/20 0.55
PTGS1 P23219 4/20 0.54
S1PR4 O95977 1/20 0.54
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
KCNJ11 Q14654 1/20 0.50

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
SCHEMBL13647658 0.91 GAA (0.60) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL15775220 0.87 KDM4E (0.58) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL31465682 0.86 CES2 (0.53) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL7301820 0.85 SMN1; SMN2 (0.61) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL1381716 0.84 KDM4E (0.54) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL1815922 0.83 KDM4E (0.77) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL3924697 0.83 GAA (0.62) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL9523014 0.82 S1PR4 (0.69) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL13885541 0.82 GAA (0.74) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL1381718 0.82 ALDH1A1 (0.53) NPC1RAB9AMEN1LMNAMAPT

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-0279633-B1 ANTICONVULSANT AGENTS ELI LILLY AND COMPANY (US) 1993-04-07 EP disclosed
US-4981866-A BENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1991-01-01 US disclosed
US-4939163-A 4-substituted benzamide derivatives ELI LILLY AND COMPANY (US) 1990-07-03 US disclosed
US-4835181-A Anticonvulsant agents using cyano dimethylphenyl benzamides ELI LILLY AND COMPANY (US) 1989-05-30 US disclosed
EP-0279633-A2 Anticonvulsant agents ELI LILLY AND COMPANY (US) 1988-08-24 EP disclosed