SCHEMBL10596273

SCHEMBL10596273

N#Cc1cc(F)cc(C(=O)CBr)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
PTPN1 P18031 1/20 0.47
VNN1 O95497 1/20 0.43

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
SCHEMBL22557052 0.83 VNN1 (0.43) VNN1
SCHEMBL20646737 0.83
SCHEMBL1659915 0.81 VNN1 (0.45) VNN1
Hydrochloric Acid SCHEMBL22557478 0.81 VNN1 (0.42) VNN1
SCHEMBL976560 0.81 PTPN1 (0.61) GSK3BPTPN1
SCHEMBL15568708 0.81 GSK3B (0.60) GSK3BPTPN1
SCHEMBL19707524 0.79 GSK3B (0.58) GSK3BPTPN1VNN1
SCHEMBL19707542 0.79 GSK3B (0.58) GSK3BPTPN1
SCHEMBL505097 0.78 HCAR1 (0.53)
Hydrochloric Acid SCHEMBL6524503 0.77 HCAR1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195396-B1 5-FLUOROBENZONITRILE DERIVATIVES AND PHARMACOLOGICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF FOR INCREASING THE LEAN MEAT TO FAT RATIO, AND/OR ENHANCING THE GROWTH RATE OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1989-03-01 EP claimed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP claimed
WO-2020212350-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 WO disclosed
EP-0195396-B1 5-FLUOROBENZONITRILE DERIVATIVES AND PHARMACOLOGICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF FOR INCREASING THE LEAN MEAT TO FAT RATIO, AND/OR ENHANCING THE GROWTH RATE OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1989-03-01 EP disclosed
US-4614746-A 5-fluorobenzonitrile derivatives for increasing the lean meat to fat ratio and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-30 US disclosed
EP-0195396-A1 5-Fluorobenzonitrile derivatives and pharmacologically acceptable acid addition salts thereof for increasing the lean meat to fat ratio, and/or enhancing the growth rate of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP disclosed