SCHEMBL11680118

SCHEMBL11680118

CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)c(N)cc2Cl)cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SREBF1 P36956 12/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NR1H2 P55055 11/20 0.39
▸ NR1H3 Q13133 9/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ CTDSP1 Q9GZU7 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
SCHEMBL11681883 0.88 ALDH1A1 (0.41) SREBF1MAPTTSHRNR1H2NR1H3
SCHEMBL11684709 0.83 PGR (0.49) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL11657083 0.78 ALDH1A1 (0.47) MAPTTSHRALDH1A1MEN1LMNA
SCHEMBL11682460 0.77 LMNA (0.51) MAPTTSHRALDH1A1MEN1LMNA
Methane SCHEMBL11681369 0.77 ALDH1A1 (0.46) MAPTTSHRALDH1A1MEN1LMNA
SCHEMBL11682666 0.75 KDM4E (0.45) MAPTTSHRNR1H2NR1H3ALDH1A1
SCHEMBL11680630 0.75 ALDH1A1 (0.43) MAPTTSHRALDH1A1MEN1LMNA
Methane SCHEMBL11682364 0.74 KDM4E (0.44) MAPTTSHRNR1H2NR1H3ALDH1A1
SCHEMBL11682345 0.73 KDM4E (0.43) MAPTALDH1A1MEN1LMNAHTT
SCHEMBL2912444 0.70 CTDSP1 (0.47) MAPTTSHRALDH1A1LMNAHTT

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-4055557-A MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-25 — — US disclosed
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