SCHEMBL4788997

SCHEMBL4788997

CN1C=CN=CC(NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL6046033 0.88 BDKRB1 (0.40) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4705690 0.82 HPGD (0.38) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4705774 0.78 BDKRB1 (0.50) BDKRB1ALDH1A1KMT2ACCNA2CDK2
SCHEMBL4703537 0.78 BDKRB1 (0.44) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4702172 0.77 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4705613 0.77 BDKRB1 (0.43) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4705710 0.77 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4702448 0.77 BDKRB1 (0.46) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4702034 0.77 BDKRB1 (0.42) BDKRB1HPGDSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4700796 0.77 BDKRB1 (0.42) BDKRB1KMT2ACCNA2CDK2CCNA1

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