SCHEMBL9009888

SCHEMBL9009888

Nc1cccc2c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c(S(=O)(=O)O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.52
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.40
▸ TSHR P16473 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ NSD2 O96028 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ BLM P54132 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
SCHEMBL28750494 0.81 TTR (0.43) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL668652 0.77 TTR (0.54) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL9009874 0.77 TTR (0.51) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL28345568 0.76 AURKA (0.60) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL28407130 0.74 TTR (0.52) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL11430380 0.74 TTR (0.52) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL20499713 0.74 CYP1A2 (0.37) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL2524546 0.74 TSHR (0.48) TTRAURKAAURKBTSHRTDP1
SCHEMBL9813360 0.73 AURKA (0.72) TTRAURKAAURKBALDH1A1TSHR
SCHEMBL5711912 0.73 AURKA (0.77) TTRAURKAAURKBALDH1A1TSHR

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-0472968-B1 Granular type reactive dye compositions and methods for dyeing and printing cellulose fibers using the same SUMITOMO CHEMICAL CO (JP) 1996-11-06 — — EP disclosed
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