SCHEMBL157238

SCHEMBL157238

CC(C)Oc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ TDP1 Q9NUW8 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ELAVL1 Q15717 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ NT5E P21589 3/20 0.37
▸ TSHR P16473 3/20 0.37

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
SCHEMBL11240417 0.87 RAPGEF4 (0.42) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL10696480 0.81 HSD17B10 (0.45) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL158166 0.81 RAPGEF4 (0.47) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL31330205 0.81 RAPGEF4 (0.47) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL487024 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL31184477 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL157237 0.80 POLB (0.35) ALDH1A1POLBMAPTKMT2AIRAK4
SCHEMBL152784 0.80 ALDH1A1 (0.59) RAPGEF4ALDH1A1TDP1POLBGAA
SCHEMBL9817115 0.79 RAPGEF4 (0.46) RAPGEF4ALDH1A1TDP1POLBGAA
Ammonia Solution, Strong SCHEMBL7550375 0.79 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1POLBGAA

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-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 — — US disclosed
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