SCHEMBL9821048

SCHEMBL9821048

N#Cc1cc(F)cc(C(=O)CBr)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
PTPN1 P18031 2/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
NOTUM Q6P988 2/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30195093 0.80 PTPN1 (0.46) GSK3BPTPN1CES2CES1POLB
SCHEMBL16082919 0.80 PTPN1 (0.46) GSK3BPTPN1CES2CES1POLB
SCHEMBL9821099 0.77 SMN1; SMN2 (0.44) CES2CES1POLBMEN1GAA
SCHEMBL17767736 0.77 CES2 (0.61) GSK3BPTPN1CES2CES1
SCHEMBL14720123 0.75 GSK3B (0.40) GSK3BPTPN1POLBMEN1KMT2A
SCHEMBL23317589 0.71 GSK3B (0.44) GSK3BPTPN1NOTUMGAAKMT2A
SCHEMBL9488312 0.71 TRPV4 (0.41) CES2CES1NOTUMMEN1KMT2A
SCHEMBL31277930 0.68 ERN1 (0.46) GSK3BPTPN1CES2CES1POLB
SCHEMBL392810 0.68 PTPN1 (0.50) GSK3BPTPN1POLBMEN1GAA
SCHEMBL14720176 0.68 HPGDS (0.41) GAASMN1; 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