SCHEMBL10701435

SCHEMBL10701435

C1=Cc2ncccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
KDM1A O60341 2/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 3/20 0.31
MAPT P10636 3/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 2/20 0.31
BCHE P06276 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL4742301 0.80 TRPA1 (0.50) TRPA1KMT2AMEN1GPR84ALDH1A1
SCHEMBL3261185 0.75
SCHEMBL6208056 0.71 TRPA1 (0.58) TRPA1KMT2AMEN1ALDH1A1ALOX15
SCHEMBL11555963 0.68 TRPA1 (0.41) TRPA1KMT2AMEN1GPR84ALOX15
Acetic Acid SCHEMBL11657200 0.67 NOX1 (0.47) TRPA1KMT2AMEN1GPR84ALOX15
SCHEMBL24592151 0.67 CYP11B2 (0.40) CA12CA1CA2CA9KDM1A
SCHEMBL401773 0.67 TRPA1 (0.40) TRPA1CA12CA1CA2CA9
SCHEMBL5094762 0.67 MAPT (0.61) CA12CA1CA2CA9KMT2A
SCHEMBL10698743 0.67 MEN1 (0.46) TRPA1CA12CA1CA2CA9
SCHEMBL14080070 0.66 TRPA1 (0.38) TRPA1KMT2AMEN1GPR84ALOX15

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
EP-0270692-A1 ANTIARRHYTHMIC AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1988-06-15 EP disclosed