SCHEMBL3258667

SCHEMBL3258667

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
SLC22A8 Q8TCC7 2/20 0.44
SLC22A11 Q9NSA0 2/20 0.44
AKT1 P31749 1/20 0.42
CYP3A4 P08684 1/20 0.41
KDM1A O60341 1/20 0.41
GAA P10253 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
ALKBH2 Q6NS38 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
FTO Q9C0B1 1/20 0.39
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3256210 0.87 SCN1A (0.38) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL3259074 0.84 HTT (0.49) ALDH1A1AKT1KDM1ASCN1ASCN5A
SCHEMBL3255395 0.82 KCNA5 (0.46) ALDH1A1
SCHEMBL3256778 0.81 P2RY1 (0.49) AKT1KDM1AMMP7
SCHEMBL3257453 0.79 SCN8A (0.40) MEN1ALDH1A1KMT2ACYP2C9SCN1A
SCHEMBL3256970 0.79 ALOX12 (0.46) MEN1KMT2ASCN1ASCN5ASCN8A
SCHEMBL3253281 0.78 SCN1A (0.44) SCN1ASCN5ASCN8A
SCHEMBL3256058 0.78 MEP1B (0.42) ALDH1A1SCN1ASCN5ASCN8A
SCHEMBL3253802 0.78 SCD (0.52) SLC22A12MEN1ALDH1A1KMT2ACYP2C9
SCHEMBL3256119 0.77 SCN8A (0.40) MEN1ALDH1A1KMT2ACYP2C9SCN1A

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