SCHEMBL3678321

SCHEMBL3678321

O=C(Nc1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1)c1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
KCNK3 O14649 2/20 0.63
KCNK9 Q9NPC2 2/20 0.63
GRM5 P41594 4/20 0.60
PGR P06401 2/20 0.60
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
KCNQ3 O43525 2/20 0.58
KCNQ2 O43526 2/20 0.58
KCNE1 P15382 2/20 0.58
KCNQ1 P51787 2/20 0.58
NR1H4 Q96RI1 1/20 0.58
AR P10275 1/20 0.57
FFAR1 O14842 1/20 0.57
KCNQ5 Q9NR82 1/20 0.57

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
SCHEMBL3667947 0.93 PGR (0.64) NPC1RAB9AKCNK3KCNK9GRM5
SCHEMBL13192836 0.91 NPC1 (0.70) NPC1RAB9AKCNK3KCNK9GRM5
SCHEMBL18745409 0.89 NPC1 (0.67) NPC1RAB9AKCNK3KCNK9GRM5
SCHEMBL27874895 0.88 NPC1 (0.73) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL3673613 0.88 KMT2A (0.64) NPC1RAB9AKCNK3PGRTP53
SCHEMBL1486169 0.85 GRM5 (0.82) NPC1RAB9AKCNK3KCNK9GRM5
SCHEMBL16507657 0.84 NPC1 (0.61) NPC1RAB9AKCNK3KCNK9GRM5
SCHEMBL3680125 0.84 BRAF (0.61) NPC1RAB9AGRM5PGRTP53
SCHEMBL3669695 0.84 PGR (0.60) NPC1RAB9APGRNR1H4AR
SCHEMBL12412616 0.84 GRM5 (0.85) NPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329444-B1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORP (JP) 2010-05-05 EP disclosed
US-6933068-B2 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 2005-08-23 US disclosed
US-6833426-B2 A proton-conductive membrane containing the sulfonic acid group-containing polyarylene (co)polymer JSR CORPORATION (JP) 2004-12-21 US disclosed
US-20030173547-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR CORPORATION (JP) 2003-09-18 US disclosed
EP-1329444-A1 Halogenated aromatic compound, (co)polymer thereof, and proton-conductive membrane comprising same JSR Corporation (JP) 2003-07-23 EP disclosed
US-20020172850-A1 Polymer electrolyte membrane and solid polymer electrolyte fuel cell using same HONDA GIKEN KOGYO KABUSHIKI KAISHA, JSR CORPORATION 2002-11-21 US disclosed