SCHEMBL8965547

SCHEMBL8965547

CCOc1ccc2cnsc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL911369 0.80 CYP1A2 (0.46) KMT2AALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL2834550 0.80 HSD17B10 (0.46) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL8966123 0.79 CA12 (0.49) KMT2ACA12CA1CA7CA9
SCHEMBL12059762 0.78 SLC6A2 (0.46) TRPM5TRPA1
SCHEMBL12338017 0.76 APP (0.40) CA12CA1CA4CA6CA7
SCHEMBL3825385 0.74 NQO1 (0.68) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL29629327 0.74 NQO1 (0.68) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL827195 0.71 MAPT (0.50) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL23458226 0.71 NQO1 (0.62) KMT2AALDH1A1HSD17B10TP53CYP3A4
SCHEMBL3821099 0.71 NQO1 (0.62) KMT2AALDH1A1HSD17B10TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530136-B1 Nematicidal agents CIBA GEIGY AG (CH) 1996-02-21 EP claimed
US-5451595-A Benzoisothiazole ethers CIBA-GEIGY CORPORATION (US) 1995-09-19 US claimed
EP-0530136-A2 Nematicidal agents CIBA-GEIGY AG (CH) 1993-03-03 EP claimed
EP-0530136-B1 Nematicidal agents CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
US-5451595-A Benzoisothiazole ethers CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0530136-A2 Nematicidal agents CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed