SCHEMBL11519413

SCHEMBL11519413

Cn1[nH]c(-c2ccccc2)c(S(=O)(=O)O)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ ALOX5 P09917 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL11375319 0.75 KDM4E (0.59) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL17290521 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL23403609 0.74 KDM4E (0.57) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL23403346 0.74 KDM4E (0.57) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL11775287 0.73 KDM4E (0.55) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL10961526 0.73 KDM4E (0.55) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL23399055 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL23399304 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EALOX5TP53GAA
SCHEMBL10941365 0.69 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL23401541 0.68 CYBB (0.59) ALDH1A1KDM4EALOX5TP53GAA

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
US-4166804-A Polymeric color indicators and a method of their preparation CESKOSLOVENSKA AKADEMIE VED (CS) 1979-09-04 — — US disclosed
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