SCHEMBL4701404

SCHEMBL4701404

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
F2 P00734 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
TYK2 P29597 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
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
SCHEMBL4789234 0.88 BDKRB1 (0.52) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4702172 0.87 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4788480 0.84 BDKRB1 (0.43) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4703365 0.83 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4790151 0.83 BDKRB1 (0.61) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4789160 0.83 BDKRB1 (0.61) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4704918 0.83 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4701941 0.83 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4704300 0.83 BDKRB1 (0.50) BDKRB1HPGDSMN1; SMN2F2MAPT
SCHEMBL4701888 0.82 BDKRB1 (0.45) 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