SCHEMBL4701941

SCHEMBL4701941

CC(O)CNC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SMO Q99835 1/20 0.38
ACR P10323 1/20 0.38

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
SCHEMBL4789400 0.90 BDKRB1 (0.43) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4702342 0.86 BDKRB1 (0.47) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL6045999 0.86 BDKRB1 (0.47) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4704544 0.85 BDKRB1 (0.44) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4702172 0.84 BDKRB1 (0.47) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4703365 0.84 BDKRB1 (0.46) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4704918 0.84 BDKRB1 (0.46) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4705213 0.84 BDKRB1 (0.45) BDKRB1SMN1; SMN2F2MAPTHPGD
SCHEMBL4706682 0.83 CYP1A2 (0.43) BDKRB1SMN1; SMN2F2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed