SCHEMBL4701724

SCHEMBL4701724

O=C(NC1CCN(C(=O)c2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
EPHX2 P34913 2/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL4700783 0.89 BDKRB1 (0.53) BDKRB1MEN1KMT2ATDP1JAK2
SCHEMBL4788391 0.89 BDKRB1 (0.42) BDKRB1MEN1KMT2AKDM5AALDH1A1
SCHEMBL6046008 0.88 BDKRB1 (0.47) BDKRB1MEN1KMT2AKDM5ATDP1
SCHEMBL4789233 0.88 BDKRB1 (0.47) BDKRB1KMT2AEPHX2EPHX1
SCHEMBL4790289 0.88 SIGMAR1 (0.48) BDKRB1MEN1KMT2A
SCHEMBL4700926 0.87 BDKRB1 (0.55) BDKRB1
SCHEMBL4705774 0.86 BDKRB1 (0.50) BDKRB1MEN1KMT2AKDM5AALDH1A1
SCHEMBL4789977 0.86 BDKRB1 (0.46) BDKRB1MEN1KMT2A
SCHEMBL4700943 0.85 KDM5A (0.43) BDKRB1KMT2AKDM5ANPSR1EPHX2
SCHEMBL4790284 0.84 ITGB1 (0.49) BDKRB1TDP1EPHX2EPHX1ALDH1A1

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