SCHEMBL15085178

SCHEMBL15085178

C/C=C1\C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.55
▸ KAT8 Q9H7Z6 9/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ EP300 Q09472 4/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14330254 0.83 KDM4E (0.52) KAT8ALDH1A1HPGDEP300MEN1
SCHEMBL6658957 0.81 TDP2 (0.70) TDP2KAT8ALDH1A1HPGDHSD17B10
SCHEMBL6658960 0.81 TDP2 (0.70) TDP2KAT8ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL6656501 0.80 TDP2 (0.69) TDP2KAT8ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL6656499 0.80 TDP2 (0.69) TDP2KAT8ALDH1A1HPGDHSD17B10
SCHEMBL6655240 0.77 MAPT (0.58) TDP2KAT8ALDH1A1HPGDHSD17B10
SCHEMBL13528778 0.77 MAPT (0.58) TDP2KAT8ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL6655370 0.77 MAPT (0.57) TDP2KAT8ALDH1A1HPGDHSD17B10
SCHEMBL14389238 0.74 TDP2 (0.45) TDP2KAT8ALDH1A1HPGDHSD17B10
SCHEMBL9180471 0.74 TDP2 (0.45) TDP2KAT8ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130167932-A1 INDOLE COMPOUND, AND PHOTOELECTRIC CONVERSION DYE USING SAME, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOELECTROCHEMICAL CELL NEC CORPORATION (JP) 2013-07-04 — — US disclosed
US-20130167932-A1 INDOLE COMPOUND, AND PHOTOELECTRIC CONVERSION DYE USING SAME, SEMICONDUCTOR ELECTRODE, PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOELECTROCHEMICAL CELL NEC CORPORATION (JP) 2013-07-04 — — US disclosed
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