SCHEMBL4703765

SCHEMBL4703765

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.50
SMN1; SMN2 Q16637 2/20 0.39
GPR139 Q6DWJ6 1/20 0.38
PHGDH O43175 1/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GHSR Q92847 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
POLB P06746 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 0.90 BDKRB1 (0.54) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4789160 0.90 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4790151 0.90 BDKRB1 (0.61) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4705721 0.89 BDKRB1 (0.53) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4706286 0.89 BDKRB1 (0.53) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4701982 0.89 BDKRB1 (0.52) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4705076 0.88 BDKRB1 (0.52) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL6046075 0.88 BDKRB1 (0.55) BDKRB1SMN1; SMN2GPR139PHGDHKMT2A
SCHEMBL4705421 0.81 BDKRB1 (0.46) BDKRB1SMN1; SMN2GPR139KMT2AHPGD
SCHEMBL4704918 0.81 BDKRB1 (0.46) BDKRB1SMN1; SMN2KMT2AHPGDF2

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