SCHEMBL4704255

SCHEMBL4704255

Cc1c(OC(=O)NCCc2ccc(C3=NCCN3)cc2)n[nH]c1NC(=O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.48
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
UBE2N P61088 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
NISCH Q9Y2I1 2/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4705143 0.92 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045946 0.90 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4706254 0.88 BDKRB1 (0.46) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4704915 0.84 BDKRB1 (0.47) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4789049 0.84 BDKRB1 (0.47) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6046042 0.84 BDKRB1 (0.52) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4702394 0.82 BDKRB1 (0.44) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045883 0.79 BDKRB1 (0.50) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL6045941 0.78 BDKRB1 (0.49) BDKRB1POLBKMT2AKDM4ETDP1
SCHEMBL4702157 0.78 KMT2A (0.45) BDKRB1KMT2ATDP1ALDH1A1NPC1

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