SCHEMBL10246713

SCHEMBL10246713

CNCCCCNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 11/20 0.51
F10 P00742 5/20 0.47
PIN1 Q13526 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL15283588 0.87 PRSS12 (0.66) PRSS12F10
SCHEMBL5540646 0.81 PRSS12 (0.53) PRSS12
SCHEMBL5539863 0.79 MAPT (0.60) PRSS12F10PIN1MAPTTP53
SCHEMBL15283224 0.77 MAPT (0.60) PRSS12F10PIN1MAPTTP53
SCHEMBL10246635 0.74 PRSS12 (0.53) PRSS12F10PIN1MAPT
SCHEMBL15295600 0.73 PRSS12 (0.68) PRSS12
SCHEMBL5537970 0.73 PRSS12 (0.56) PRSS12MAPT
SCHEMBL2734468 0.73 PRSS12 (0.67) PRSS12
SCHEMBL5539819 0.72 PRSS12 (0.81) PRSS12
SCHEMBL10246589 0.70 PRSS12 (0.64) PRSS12F10

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-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed