SCHEMBL11429784

SCHEMBL11429784

O=S(=O)(C(=Cc1ccc(N(CCO)CCO)cc1)S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ AR P10275 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALDH3A1 P30838 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2203734 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL9288165 0.79 NR1H2 (0.38) AR
SCHEMBL2202946 0.73 PTGS2 (0.44) MAPTGAA
SCHEMBL2201468 0.72 AKR1C3 (0.39) ALDH1A1TSHR
SCHEMBL347463 0.70 ALDH1A1 (0.61) PPARGALDH1A1TSHRTDP1KMT2A
SCHEMBL9915609 0.69 APP (0.42) PPARGALDH1A1TDP1KMT2AMEN1
SCHEMBL7718268 0.69 APP (0.42) PPARGALDH1A1TDP1KMT2AMEN1
SCHEMBL9915630 0.69 APP (0.42) PPARGALDH1A1TDP1KMT2AMEN1
SCHEMBL6243535 0.69 MAPT (0.44) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL2202048 0.68 FBP1 (0.50) ALDH1A1MAPTNPC1SMN1; SMN2

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-4189429-A ANTHRAQUINONE, NAPHTHAQUINONE, MONOAZO AND STYRYL DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-02-19 — — US disclosed
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