SCHEMBL10246445

SCHEMBL10246445

O=Cc1ccc(NC(=O)c2nccs2)cc1NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
PRSS12 P56730 9/20 0.54
F10 P00742 6/20 0.52
GRM4 Q14833 1/20 0.51
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2733363 0.88 PRSS12 (0.69) PRSS12F10
SCHEMBL2721976 0.86 PRSS12 (0.56) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5540139 0.77 PRSS12 (0.79) PRSS12F10
SCHEMBL5542108 0.73 PRSS12 (0.74) PRSS12F10
SCHEMBL13212132 0.70 MAPT (0.70) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5534570 0.70 PRSS12 (1.00) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23353224 0.70 MAPT (1.00) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL29865475 0.70 MAPT (1.00) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5935569 0.69 MAPT (0.79) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL6594521 0.69 F10 (1.00) 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