SCHEMBL9821005

SCHEMBL9821005

Nc1ccc(C(=O)CF)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 5/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GSK3B P49841 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 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
SCHEMBL12430465 0.82 ACHE (0.44) ACHEHDAC1HDAC6MAPTGSK3B
SCHEMBL11743910 0.81 GSK3B (0.47) CA12CA1CA2CA4CA6
SCHEMBL246840 0.79 ACHE (0.42) ACHENPC1GSK3BPTPN1ALDH1A1
SCHEMBL11666165 0.79 CA12 (0.38) CA12CA1CA2CA4CA6
SCHEMBL1376911 0.78 ALDH1A1 (0.52) CA12CA1CA2CA4CA6
SCHEMBL3090722 0.76 PARP1 (0.50) CA12CA1CA2CA4CA6
SCHEMBL1008508 0.76 CDC25B (0.55) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL11591120 0.76 CHRM2 (0.40) CA12CA1CA2CA4CA6
SCHEMBL4949504 0.76 ACHE (0.42) ACHEHDAC1HDAC6MAPTNPC1
SCHEMBL842236 0.75 PRKCI (0.52) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163346-A Synthesis method of o-bromo-p-fluoroacetanilide 宁夏常晟药业有限公司 2022-03-11 CN disclosed
CN-114163346-A Synthesis method of o-bromo-p-fluoroacetanilide 宁夏常晟药业有限公司 2022-03-11 CN disclosed
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