SCHEMBL8714943

SCHEMBL8714943

CC1(C)COP(=O)(O)OC1c1ccccc1Cl.Cn1nnc2ccc(CNNc3ccc(Cl)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK9 P50750 1/20 0.32
NOTUM Q6P988 1/20 0.31
NSD2 O96028 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8882992 0.93 SLC6A4 (0.33) SLC6A4ALDH1A1MAPTHPGDHSD17B10
SCHEMBL8710075 0.76 NPC1 (0.44) SLC6A4ALDH1A1MAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL8710124 0.75 NPC1 (0.44) SLC6A4ALDH1A1MAPTHPGDHSD17B10
SCHEMBL29590612 0.73 PTGS2 (0.37) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL5678165 0.73 PTGS2 (0.37) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL547802 0.73 PTGS2 (0.37) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL29759482 0.73 PTGS2 (0.37) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL2026167 0.73 PTGS2 (0.37) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL5682194 0.67 ALDH1A1 (0.39) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL5678330 0.67 ALDH1A1 (0.39) ALDH1A1MAPTHPGDHSD17B10KDM4E

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
US-5746840-A Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole JANSSEN PHARMACEUTICA, N.V. (BE) 1998-05-05 US disclosed
US-5663354-A Process for preparing enantiomerically pure 6-[(4-chlorophenyl) (1H-1,2,4-triazol-1-yl) methyl]-1-methyl-1H-benzotrizole JANSSEN PHARMACEUTICA, N.V. (BE) 1997-09-02 US disclosed
EP-0668861-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 6- (4-CHLOROPHENYL)(1H --TRIAZOL-1,2,4-TRIAZOL-1-YL)METHYL]-1-METHYL-1H --BENZOTRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1995-08-30 EP disclosed
WO-1994011364-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE 6-[(4-CHLOROPHENYL)(1H^_-TRIAZOL-1,2,4-TRIAZOL-1-YL)METHYL]-1-METHYL-1H^_-BENZOTRIAZOLE JANSSEN PHARMACEUTICA N.V. (BE) 1994-05-26 WO disclosed