SCHEMBL8987286

SCHEMBL8987286

O=C(CC(=O)c1cccc(Cl)c1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
KMT2A Q03164 5/20 0.69
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
KDM4E B2RXH2 1/20 0.60
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
MEN1 O00255 4/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNJ5 P48544 1/20 0.51
KCNJ3 P48549 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL28223339 0.91 NPC1 (0.69) NPC1RAB9AKMT2AKCNK3KCNK9
SCHEMBL14982192 0.83 ERCC5 (0.74) NPC1RAB9AKMT2AERCC5FEN1
SCHEMBL1098345 0.83 RAB9A (0.77) NPC1RAB9AKMT2AERCC5FEN1
SCHEMBL8987227 0.82 KMT2A (0.87) NPC1RAB9AKMT2AERCC5FEN1
SCHEMBL9334034 0.82 RAB9A (1.00) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL14890950 0.81 RAB9A (0.74) NPC1RAB9AKMT2AERCC5FEN1
SCHEMBL8987084 0.81 KMT2A (0.60) NPC1RAB9AKMT2AKCNK3KCNK9
SCHEMBL8987317 0.81 KMT2A (0.60) NPC1RAB9AKMT2AKDM4EMEN1
SCHEMBL11791699 0.81 ERCC5 (0.76) NPC1RAB9AKMT2AERCC5FEN1
SCHEMBL29962144 0.81 ERCC5 (0.76) NPC1RAB9AKMT2AERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
US-4387149-A CATIONIC DYES; STABILITY; COPYING MITSUBISHI PAPER MILLS, LTD. (JP) 1983-06-07 US disclosed