SCHEMBL3255776

SCHEMBL3255776

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
SCN1A P35498 6/20 0.42
SCN5A Q14524 6/20 0.42
SCN8A Q9UQD0 6/20 0.42
SCN1B Q07699 2/20 0.42
CCR2 P41597 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR4 P51679 1/20 0.41
CCR5 P51681 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
SCN3A Q9NY46 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
SCHEMBL3256693 0.86 ACLY (0.40) SCN1ASCN5ASCN8ACCR4
SCHEMBL3253952 0.84 MEN1 (0.48) SCN1ASCN5ASCN8ACYP1A2CYP3A4
SCHEMBL3256119 0.83 SCN8A (0.40) SCN1ASCN5ASCN8ACYP2D6CYP2C9
SCHEMBL3256970 0.83 ALOX12 (0.46) SCN1ASCN5ASCN8ASCN1B
SCHEMBL3258919 0.83 GAA (0.41) RAB9ASCN1ASCN5ASCN8ACCR4
SCHEMBL3248733 0.82 HSD11B1 (0.51) SCN1ASCN5ASCN8ACYP3A4CCR4
SCHEMBL3253214 0.82 AKT1 (0.46)
SCHEMBL3250345 0.82 ALDH1A1 (0.49)
SCHEMBL3259074 0.82 HTT (0.49) SCN1ASCN5ASCN8ACCR4PIK3CD
SCHEMBL3256778 0.81 P2RY1 (0.49) EGLN1SCN3AHDAC3HDAC4HDAC1

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-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed