SCHEMBL9821165

SCHEMBL9821165

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
SOS1 Q07889 7/20 0.35
TRPV4 Q9HBA0 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL22763993 0.85 SOS1 (0.36) CYP11B1CYP11B2SOS1TRPV4
SCHEMBL29945727 0.81 SOS1 (0.35) CYP11B1CYP11B2SOS1TRPV4ADRB2
SCHEMBL23526352 0.81 SOS1 (0.35) CYP11B1CYP11B2SOS1TRPV4ADRB2
SCHEMBL23526350 0.81 SOS1 (0.35) CYP11B1CYP11B2SOS1TRPV4ADRB2
SCHEMBL9821104 0.78 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL25688973 0.78 CYP11B1 (0.46) CYP11B1CYP11B2TRPV4
SCHEMBL9821039 0.77 TRPV4 (0.30) TRPV4
SCHEMBL23564088 0.77 TRPV4 (0.34) CYP11B1CYP11B2SOS1TRPV4
SCHEMBL23526362 0.76 SOS1 (0.39) SOS1
SCHEMBL23526365 0.76 SOS1 (0.39) SOS1

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