SCHEMBL7848646

SCHEMBL7848646

CCCCCOc1ccccc1[Mg]Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LTA4H P09960 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MCHR1 Q99705 2/20 0.42
TLR8 Q9NR97 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7849725 0.98 LMNA (0.50) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL3135214 0.95 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL7850916 0.89 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL7849178 0.81 ALDH1A1 (0.50) CYP1A2CYP2C19MAPTL3MBTL1NPSR1
SCHEMBL10362099 0.81 LMNA (0.50) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL30096940 0.80 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL6651604 0.80 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19KMT2AMAPT
Bromide SCHEMBL1093529 0.80 MEN1 (0.47) CYP1A2CYP2C9CYP2C19KMT2AMAPT
Hydrochloric Acid SCHEMBL1093190 0.80 MEN1 (0.47) CYP1A2CYP2C9CYP2C19KMT2AMAPT
SCHEMBL1964196 0.78 LMNA (0.62) CYP1A2CYP2C9CYP2C19KMT2AMAPT

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