SCHEMBL4789400

SCHEMBL4789400

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.43
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4701941 0.90 BDKRB1 (0.44) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4788480 0.87 BDKRB1 (0.43) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL4704544 0.87 BDKRB1 (0.44) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL4702475 0.87 BDKRB1 (0.42) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL14084823 0.86 BDKRB1 (0.46) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4706682 0.86 CYP1A2 (0.43) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL4704880 0.84 SIGMAR1 (0.43) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL4703831 0.83 HDAC3 (0.42) BDKRB1ITGB1ITGA4ITGB7F2
SCHEMBL4702172 0.83 BDKRB1 (0.47) BDKRB1F2MAPTHPGDKMT2A
SCHEMBL4704918 0.83 BDKRB1 (0.46) BDKRB1F2MAPTHPGDKMT2A

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