SCHEMBL11348382

SCHEMBL11348382

O=c1c2ccccc2sn1CCN1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.57
FAAH O00519 1/20 0.55
MGLL Q99685 1/20 0.55
KAT2A Q92830 1/20 0.54
KAT2B Q92831 1/20 0.54
CASP7 P55210 1/20 0.50

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
Hydrochloric Acid SCHEMBL11272284 0.98 CASP3 (0.56) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11407006 0.98 CASP3 (0.59) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL9829900 0.91 FAAH (0.59) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24766317 0.86 P4HB (0.62) CASP3FAAHMGLLCASP7
SCHEMBL17948289 0.86 P4HB (0.62) CASP3FAAHMGLLCASP7
SCHEMBL11278746 0.85 CASP3 (0.74) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11640205 0.83 CASP3 (0.67) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11631975 0.83 CASP3 (0.56) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL11458909 0.79 CASP3 (0.58) CASP3FAAHMGLLKAT2AKAT2B
SCHEMBL24836229 0.79 FAAH (0.76) CASP3FAAHMGLLKAT2AKAT2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001503-B1 ANTITHROMBOTIC COMPOSITIONS CONTAINING BENZISOTHIAZOLONES BEECHAM GROUP PLC (GB) 1981-01-07 EP claimed
EP-0001503-A1 Antithrombotic compositions containing benzisothiazolones BEECHAM GROUP PLC (GB) 1979-04-18 EP claimed
EP-0001503-B1 ANTITHROMBOTIC COMPOSITIONS CONTAINING BENZISOTHIAZOLONES BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed
US-4186203-A ANTITHROMBOTIC ACTIVITY BEECHAM GROUP LIMITED (GB) 1980-01-29 US disclosed
EP-0001503-A1 Antithrombotic compositions containing benzisothiazolones BEECHAM GROUP PLC (GB) 1979-04-18 EP disclosed