SCHEMBL9683391

SCHEMBL9683391

Cc1ccc(S(=O)(=O)Oc2cccc(N(C)c3ccc(N(C)c4ccccc4)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
G6PD P11413 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR17 Q13304 1/20 0.42
NR3C1 P04150 1/20 0.41

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
SCHEMBL9480090 0.92 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGAAMAOB
SCHEMBL9479932 0.89 PPARG (0.56) ALDH1A1LMNAHPGDCA12CA9
SCHEMBL9479650 0.85 L3MBTL1 (0.51) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL9683388 0.81 MEN1 (0.49) ALDH1A1LMNAPPARGGAAMEN1
SCHEMBL9479317 0.80 NR3C2 (0.49) ALDH1A1CA9PPARGHTTSMN1; SMN2
SCHEMBL9480813 0.79 TDP1 (0.59) ALDH1A1LMNACA12PPARGMAPT
SCHEMBL346667 0.79 HTT (0.59) ALDH1A1LMNACA12PPARGMAPT
SCHEMBL6939774 0.79 MAOB (0.57) ALDH1A1LMNAHPGDCA12NPSR1
SCHEMBL4138555 0.78 HTT (0.61) ALDH1A1LMNAHPGDPPARGNPSR1
Iodide SCHEMBL3347426 0.77 HTT (0.58) ALDH1A1LMNACA12PPARGMAPT

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-0479578-A1 Color-forming recording material MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-08 EP disclosed