SCHEMBL27472007

SCHEMBL27472007

CC(C)Oc1c(Br)cnn(C(F)C(F)F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.33
MCHR1 Q99705 2/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4176355 0.72 ALDH1A1 (0.37) NPBWR1MCHR1NPC1ALDH1A1LMNA
SCHEMBL4194545 0.70 ALDH1A1 (0.54) NPBWR1MCHR1NPC1ALDH1A1LMNA
SCHEMBL9726416 0.65 ALDH1A1 (0.46) NPBWR1MCHR1NPC1ALDH1A1LMNA
SCHEMBL10272845 0.64 GABRA1 (0.31) LMNANPSR1
SCHEMBL28898535 0.64 NPBWR1 (0.37) NPBWR1NPC1ALDH1A1GAAHTT
SCHEMBL28898520 0.63 HTT (0.42) NPC1ALDH1A1LMNAGAAMAPT
SCHEMBL22234554 0.60 ALOX5AP (0.37) HTT
SCHEMBL28937014 0.60 POLB (0.33)
SCHEMBL29173526 0.58
SCHEMBL14844575 0.58 NPBWR1 (0.43) NPBWR1MCHR1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed