SCHEMBL4703365

SCHEMBL4703365

C[C@H](CO)NC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.46
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4704918 1.00 BDKRB1 (0.46) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4701888 0.90 BDKRB1 (0.45) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4789942 0.90 BDKRB1 (0.45) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4789563 0.90 BDKRB1 (0.45) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4790303 0.90 BDKRB1 (0.45) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4788554 0.88 BDKRB1 (0.44) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4706713 0.87 BDKRB1 (0.43) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL4790472 0.87 BDKRB1 (0.45) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL6045852 0.87 BDKRB1 (0.50) BDKRB1HPGDKMT2AF2MAPT
SCHEMBL6045952 0.87 BDKRB1 (0.50) BDKRB1HPGDKMT2AF2MAPT

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