SCHEMBL9821099

SCHEMBL9821099

CC(=O)c1cc(F)cc(C#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL29125250 0.84 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL14344995 0.82 KDM4E (0.39) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL9821029 0.82 KDM4E (0.39) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL16051600 0.78 CYP1A2 (0.49) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL9821048 0.77 GSK3B (0.39) SMN1; SMN2CES2CES1GAAPOLB
SCHEMBL9488312 0.75 TRPV4 (0.41) KDM4ECES2CES1MEN1KMT2A
SCHEMBL8221389 0.74 NOTUM (0.47) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL29467941 0.74 CES2 (0.68) SMN1; SMN2CES2CES1
SCHEMBL363749 0.74 CES2 (0.68) SMN1; SMN2CES2CES1
SCHEMBL8299340 0.72 TRPV4 (0.47) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed