SCHEMBL16916878

SCHEMBL16916878

C=CCn1sc2ccccc2c1=O.Cn1sc2ccccc2c1=O

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.83
G6PD P11413 1/20 0.66
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
KAT2A Q92830 3/20 0.48
KAT2B Q92831 3/20 0.48

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
SCHEMBL758699 0.91 CASP3 (1.00) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL50008 0.81 CASP3 (1.00) CASP3G6PDFAAHMGLL
Hydrochloric Acid SCHEMBL16222837 0.79 CASP3 (0.96) CASP3G6PDFAAHMGLL
SCHEMBL11278746 0.76 CASP3 (0.74) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL3142138 0.76 CASP3 (0.67) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL29679341 0.76 CASP3 (0.67) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL358740 0.73 FAAH (0.77) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL24836229 0.73 FAAH (0.76) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL3143600 0.73 CASP3 (1.00) CASP3G6PDFAAHMGLLKAT2A
SCHEMBL29678965 0.73 CASP3 (1.00) CASP3G6PDFAAHMGLLKAT2A

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-2015106959-A1 METHOD FOR PRODUCING N-ALKYL-1,2-BENZISOTHIAZOLIN-3-ONES THOR GMBH (DE) 2015-07-23 WO claimed