SCHEMBL10246635

SCHEMBL10246635

COC(=O)c1cc(C(=O)NCCCCN(C)C(=O)O)ccc1NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 13/20 0.53
MAPT P10636 2/20 0.49
F10 P00742 4/20 0.49
PIN1 Q13526 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 0.82 PRSS12 (0.66) PRSS12F10
SCHEMBL5537970 0.79 PRSS12 (0.56) PRSS12MAPT
SCHEMBL2723502 0.74 PRSS12 (0.62) PRSS12MAPTF10
SCHEMBL15295703 0.74 PRSS12 (0.71) PRSS12MAPTF10
SCHEMBL10246713 0.74 PRSS12 (0.51) PRSS12MAPTF10PIN1
SCHEMBL10248415 0.73 POLB (0.45) MAPT
SCHEMBL15295600 0.72 PRSS12 (0.68) PRSS12
SCHEMBL2724943 0.72 PRSS12 (0.73) PRSS12MAPT
SCHEMBL2725087 0.72 MAPT (0.69) PRSS12MAPTF10
SCHEMBL2734468 0.72 PRSS12 (0.67) 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