SCHEMBL9820955

SCHEMBL9820955

Cc1cc(C(C)O)c(F)c(C#N)c1N

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 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
SCHEMBL10533247 0.81 ADRB2 (0.45) KDM4EMAPTALDH1A1MAPK1ADRB2
SCHEMBL9821127 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28219609 0.72 TRPV4 (0.42) KDM4EMAPTALDH1A1MAPK1TRPV4
SCHEMBL9821160 0.71 KDM4E (0.36) KDM4EMAPTALDH1A1
SCHEMBL9820979 0.67 ADRB2 (0.49) KDM4EMAPTALDH1A1MAPK1ADRB2
SCHEMBL13268829 0.66 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL9821165 0.66 CYP11B1 (0.39) TRPV4ADRB2ADRB1
SCHEMBL5211581 0.65 KDM4E (0.44) KDM4EMAPTALDH1A1MAPK1XBP1
SCHEMBL22128464 0.65 ALDH1A1 (0.30) ALDH1A1
SCHEMBL24458099 0.64 CES2 (0.34) MEN1KMT2A

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