SCHEMBL8499067

SCHEMBL8499067

NC(=O)Nc1cccc(Cc2cccc(C(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPY5R Q15761 1/20 0.47
RXFP1 Q9HBX9 4/20 0.46
EPHX1 P07099 2/20 0.46
KIF11 P52732 2/20 0.45
GRIK1 P39086 1/20 0.44
KCNQ2 O43526 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK8 P45983 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
SCHEMBL6434421 0.78 KIF11 (0.56) MEN1MAPTKMT2ARXFP1KIF11
SCHEMBL5261055 0.77 GPR52 (0.53) RXFP1EPHX1MAPK8
SCHEMBL7615106 0.75 KIF11 (0.63) RXFP1KIF11GRIK1ALDH1A1
SCHEMBL6821850 0.74 DAO (0.48) MEN1MAPTKMT2A
SCHEMBL2419022 0.72 L3MBTL1 (0.68) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL2577342 0.71 ACP3 (0.49) MEN1MAPTKMT2A
SCHEMBL27827183 0.71 TAAR1 (0.53) MEN1KMT2AALDH1A1GAA
SCHEMBL11819177 0.71 MEN1 (0.47) MEN1MAPTKMT2ARXFP1EPHX1
SCHEMBL12812255 0.71 KDM4E (0.52) MEN1MAPTKMT2ARXFP1ALDH1A1
SCHEMBL30370514 0.70 TAAR1 (0.58) MEN1MAPTKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906273-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1999-04-07 EP disclosed
WO-1997045400-A1 PHENYL DERIVATIVES CONTAINING AN ACIDIC GROUP, THEIR PREPARATION AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed