SCHEMBL4702172

SCHEMBL4702172

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 2/20 0.42
JAK1 P23458 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TYK2 P29597 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4701404 0.87 BDKRB1 (0.49) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4789234 0.87 BDKRB1 (0.52) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4704544 0.85 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4789160 0.84 BDKRB1 (0.61) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4701941 0.84 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4703365 0.84 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4790110 0.84 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4704918 0.84 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4790151 0.84 BDKRB1 (0.61) BDKRB1HPGDSMN1; SMN2F2MAPT

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