SCHEMBL5540302

SCHEMBL5540302

O=Cc1ccc(CN2CCCC2=O)cc1NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAPK1 P28482 2/20 0.54
PRSS12 P56730 11/20 0.52
F10 P00742 4/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15283104 0.89 PRSS12 (0.65) RAB9ARXFP1PRSS12
SCHEMBL5540139 0.77 PRSS12 (0.79) PRSS12F10
SCHEMBL314749 0.69 MAPK1 (0.71) RAB9ARXFP1MAPK1PRSS12F10
SCHEMBL10246445 0.69 MAPT (0.57) RAB9ARXFP1PRSS12F10KDM4E
SCHEMBL5540646 0.69 PRSS12 (0.53) PRSS12
SCHEMBL6592475 0.68 MAPK1 (0.73) MAPK1PRSS12F10
SCHEMBL31167013 0.68 L3MBTL1 (0.49) MAPK1
SCHEMBL31167016 0.68 L3MBTL1 (0.49) MAPK1
SCHEMBL10246561 0.67 PRSS12 (0.67) PRSS12F10
SCHEMBL16553854 0.67 KDM4E (0.81) RAB9ARXFP1MAPK1PRSS12F10

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