SCHEMBL2489174

SCHEMBL2489174

O=C(CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC1CCC(Cc2ccccc2N2CCOCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.58
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL643372 0.84 BDKRB1 (0.58) BDKRB1ALDH1A1POLB
SCHEMBL643618 0.83 BDKRB1 (0.55) BDKRB1ALDH1A1POLB
SCHEMBL642921 0.79 BDKRB1 (0.60) BDKRB1ALDH1A1POLB
SCHEMBL644632 0.78 BDKRB1 (0.57) BDKRB1ALDH1A1POLB
SCHEMBL4425827 0.76 BDKRB1 (0.77) BDKRB1ALDH1A1POLB
SCHEMBL643333 0.74 BDKRB1 (0.59) BDKRB1ALDH1A1POLB
SCHEMBL645808 0.74 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL6402861 0.74 BDKRB1 (0.79) BDKRB1ALDH1A1POLB
SCHEMBL644316 0.74 BDKRB1 (0.57) BDKRB1ALDH1A1POLB
SCHEMBL645871 0.73 BDKRB1 (0.73) BDKRB1ALDH1A1POLB

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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed