SCHEMBL4703703

SCHEMBL4703703

O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
BDKRB1 P46663 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 2/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL14084841 0.88 MEN1 (0.52) MEN1KMT2ABDKRB1ALDH1A1L3MBTL1
SCHEMBL4705774 0.87 BDKRB1 (0.50) MEN1KMT2ABDKRB1ALDH1A1
SCHEMBL4700955 0.86 SIGMAR1 (0.48) MEN1KMT2APOLB
SCHEMBL4706230 0.85 CDK2 (0.48) MEN1KMT2ABDKRB1SMN1; SMN2
SCHEMBL4790284 0.85 ITGB1 (0.49) BDKRB1ALDH1A1EPHX2
SCHEMBL4790676 0.84 CDK2 (0.42) MEN1KMT2ABDKRB1SMN1; SMN2
SCHEMBL4700783 0.83 BDKRB1 (0.53) MEN1KMT2ABDKRB1L3MBTL1LMNA
SCHEMBL4705037 0.83 DRD4 (0.46)
SCHEMBL4704842 0.83 DRD4 (0.46)
SCHEMBL4701724 0.83 BDKRB1 (0.42) MEN1KMT2ABDKRB1ALDH1A1EPHX2

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