SCHEMBL7850102

SCHEMBL7850102

CCc1cccc([Mg]Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MGLL Q99685 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
BCL2 P10415 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
IDO1 P14902 1/20 0.36
TRPA1 O75762 1/20 0.35
KIF11 P52732 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7852118 0.83 TAAR1 (0.38) KIF11SIGMAR1
SCHEMBL7849535 0.80 LPL (0.45) NPC1RAB9AMAPK1
SCHEMBL7850223 0.79 LPL (0.51) L3MBTL1PTGS2
SCHEMBL836836 0.78 TP53 (0.42) TP53MGLLCYP1A2CYP2A6BCL2
SCHEMBL7850727 0.78 PNMT (0.43) CYP2A6SIGMAR1
SCHEMBL7849243 0.77 LPL (0.53) L3MBTL1
Bromide SCHEMBL11151689 0.77 TP53 (0.41) TP53MGLLCYP1A2CYP2A6BCL2
SCHEMBL166894 0.75 TP53 (0.61) TP53MGLLCYP1A2CYP2A6BCL2
SCHEMBL28256639 0.73 TP53 (0.58) TP53MGLLCYP1A2CYP2A6BCL2
Benzene SCHEMBL9785236 0.73 TP53 (0.67) TP53MGLLCYP1A2CYP2A6BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed