SCHEMBL11681883

SCHEMBL11681883

COc1ccc(N(C)S(=O)(=O)c2cc(Cl)c(N)cc2Cl)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ACLY P53396 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SREBF1 P36956 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL11680118 0.88 SREBF1 (0.42) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL11684709 0.86 PGR (0.49) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL11657083 0.80 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AMEN1KDM4E
Methane SCHEMBL11681369 0.79 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11682666 0.77 KDM4E (0.45) ALDH1A1TSHRKMT2AMEN1KDM4E
Methane SCHEMBL11682364 0.76 KDM4E (0.44) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11684030 0.75 KMT2A (0.51) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL11680630 0.75 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL11682345 0.73 KDM4E (0.43) ALDH1A1GLAKMT2AMEN1KDM4E
SCHEMBL11686057 0.72 PGR (0.51) ALDH1A1KMT2AMEN1KDM4ENPC1

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
Send feedback