SCHEMBL2490896

SCHEMBL2490896

O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)NCC1CCC(CN2CCCC2c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
BDKRB1 P46663 5/20 0.48
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
ACLY P53396 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL643339 0.81 HTT (0.51) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL644083 0.79 BDKRB1 (0.49) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL642965 0.78 HTT (0.49) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL643120 0.76 HTT (0.47) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL644293 0.75 HTT (0.74) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL642993 0.71 BDKRB1 (0.54) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL643338 0.69 HTT (1.00) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL643302 0.69 BDKRB1 (0.55) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL645135 0.68 HTT (0.51) HTTBDKRB1ALDH1A1KMT2AMEN1
SCHEMBL644127 0.68 HTT (0.53) HTTBDKRB1ALDH1A1KMT2AMEN1

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