SCHEMBL11240417

SCHEMBL11240417

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ ALDH1A1 P00352 9/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ RECQL P46063 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ELAVL1 Q15717 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ CASR P41180 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
SCHEMBL157238 0.87 RAPGEF4 (0.44) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL11111260 0.83 P2RY12 (0.37) ALDH1A1GAAL3MBTL1POLBTSHR
SCHEMBL158166 0.82 RAPGEF4 (0.47) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL31330205 0.82 RAPGEF4 (0.47) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL9817115 0.80 RAPGEF4 (0.46) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL10696480 0.79 HSD17B10 (0.45) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL487024 0.78 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL31184477 0.78 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1MAPTGAA
SCHEMBL152784 0.77 ALDH1A1 (0.59) RAPGEF4ALDH1A1TDP1MAPTGAA
Ammonia Solution, Strong SCHEMBL7550375 0.76 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1MAPTGAA

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-4358526-A MAGENTA AZO DYES; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 1982-11-09 — — US disclosed
Send feedback