SCHEMBL4706286

SCHEMBL4706286

CC(NC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.53
SMN1; SMN2 Q16637 3/20 0.41
GPR139 Q6DWJ6 2/20 0.41
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL4703245 0.94 BDKRB1 (0.54) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4789160 0.93 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4790151 0.93 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4705721 0.93 BDKRB1 (0.53) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4701982 0.92 BDKRB1 (0.52) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4705076 0.91 BDKRB1 (0.52) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4703765 0.89 BDKRB1 (0.50) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL6046120 0.87 BDKRB1 (0.59) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4705421 0.86 BDKRB1 (0.46) BDKRB1SMN1; SMN2GPR139KMT2AF2
SCHEMBL4704918 0.84 BDKRB1 (0.46) BDKRB1SMN1; SMN2KMT2AF2MAPT

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