SCHEMBL9821160

SCHEMBL9821160

CC(=O)c1cc(C)c(N)c(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
UPP1 Q16831 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9820984 0.85 TRPV4 (0.36) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL9821037 0.83 TAS1R3 (0.33) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL14408161 0.76 STAT3 (0.36) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL9821241 0.73 TSHR (0.35) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL28219609 0.72 TRPV4 (0.42) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL21990971 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL29251194 0.71 KDM4E (0.36) KDM4EALDH1A1TSHRGAASMN1; SMN2
SCHEMBL9820955 0.71 KDM4E (0.34) KDM4EALDH1A1MAPT
SCHEMBL29467960 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL24662883 0.68 THRB (0.35) KDM4EALDH1A1HPGDTSHRSMN1; SMN2

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