SCHEMBL6501864

SCHEMBL6501864

Cc1cc(Cl)c(N2CCCC2)cc1S(=O)(=O)Nc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SCN5A Q14524 11/20 0.48
SCN8A Q9UQD0 5/20 0.48
SCN1A P35498 4/20 0.48
SCN9A Q15858 14/20 0.47
CYP3A4 P08684 3/20 0.46
PPIA P62937 1/20 0.45
NR1I2 O75469 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2B P41595 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
SCHEMBL16757049 0.72 SCN9A (0.80) SCN5ASCN8ASCN9ACYP3A4NR1I2
SCHEMBL20096109 0.72 SCN5A (0.62) SCN5ASCN8ASCN1A
SCHEMBL16757048 0.71 SCN9A (0.60) SCN5ASCN9ACYP3A4
SCHEMBL31566916 0.70 SCN8A (0.59) SCN8ASCN1ASCN9A
SCHEMBL31566467 0.70 SCN8A (0.59) SCN8ASCN1ASCN9A
SCHEMBL17545149 0.70 USP2 (0.53) USP2MAPTESR2HSD17B10SCN5A
SCHEMBL20115734 0.70 SCN9A (0.56) SCN8ASCN9ACYP3A4
SCHEMBL19219769 0.70 USP2 (0.49) USP2MAPTESR2HSD17B10SCN5A
SCHEMBL30479336 0.69 SCN9A (0.58) SCN5ASCN8ASCN1ASCN9ACYP3A4
SCHEMBL20115795 0.69 SCN9A (0.58) SCN5ASCN8ASCN1ASCN9ACYP3A4

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
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO disclosed