SCHEMBL14084841

SCHEMBL14084841

O=C(Nc1[nH]nc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)c1Br)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BDKRB1 P46663 3/20 0.46
POLB P06746 1/20 0.46
CNR1 P21554 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL4703703 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1BDKRB1
SCHEMBL14084845 0.86 BDKRB1 (0.57) MEN1KMT2ABDKRB1
SCHEMBL14084817 0.85 SLC6A12 (0.54) MEN1KMT2APOLB
SCHEMBL4703565 0.84 CDK2 (0.53) MEN1KMT2ABDKRB1
SCHEMBL4703545 0.84 RAB9A (0.50) MEN1KMT2AALDH1A1BDKRB1EPHX2
SCHEMBL14084821 0.83 CDK2 (0.45) MEN1KMT2ABDKRB1
SCHEMBL14084897 0.82 BDKRB1 (0.60) MEN1KMT2ABDKRB1
SCHEMBL6046008 0.81 BDKRB1 (0.47) MEN1KMT2AALDH1A1BDKRB1POLB
SCHEMBL14084852 0.81 DRD4 (0.49)
SCHEMBL14084854 0.81 DRD4 (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed