SCHEMBL5503553

SCHEMBL5503553

COc1ccc(C2CCN(S(=O)(=O)Cc3c[c]c(O)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
USP5 P45974 1/20 0.44
ACLY P53396 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.43
MMP3 P08254 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNA5 P22460 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
SCHEMBL5506094 0.82 LMNA (0.50) MAPTPOLBACLYLMNATSHR
SCHEMBL4955695 0.73 USP5 (0.52) MAPTPOLBUSP5ACLYALDH1A1
SCHEMBL4955014 0.72 USP5 (0.48) MAPTPOLBUSP5ACLYALDH1A1
SCHEMBL4955012 0.72 DRD2 (0.50) MAPTPOLBUSP5ACLYALDH1A1
SCHEMBL1103992 0.71 HTT (0.57) MAPTUSP5ACLYALDH1A1RAB9A
SCHEMBL2155443 0.68 DRD2 (0.49) MAPTPOLBUSP5ACLYALDH1A1
SCHEMBL942429 0.67 MMP13 (0.67) KCNH2
SCHEMBL1983277 0.66 HPGD (0.63) MAPTPOLBALDH1A1HPGDNPSR1
SCHEMBL5510215 0.66 DRD2 (0.52) POLBUSP5ACLYLMNADRD2
SCHEMBL294302 0.65 THRB (0.65) MAPTUSP5ALDH1A1LMNARAB9A

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
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP claimed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO claimed