SCHEMBL5540646

SCHEMBL5540646

N#CCCCCNC(=O)c1ccc(C=O)c(NC(=O)c2sc3ccccc3c2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 20/20 0.53

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
SCHEMBL15295600 0.89 PRSS12 (0.68) PRSS12
SCHEMBL5537970 0.86 PRSS12 (0.56) PRSS12
SCHEMBL10246713 0.81 PRSS12 (0.51) PRSS12
SCHEMBL10246561 0.74 PRSS12 (0.67) PRSS12
SCHEMBL2734468 0.74 PRSS12 (0.67) PRSS12
SCHEMBL15283588 0.74 PRSS12 (0.66) PRSS12
SCHEMBL5540139 0.71 PRSS12 (0.79) PRSS12
SCHEMBL5540302 0.69 RAB9A (0.56) PRSS12
SCHEMBL10246635 0.68 PRSS12 (0.53) PRSS12
SCHEMBL5540982 0.68 PRSS12 (0.72) PRSS12

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