SCHEMBL9505679

SCHEMBL9505679

Cc1ccc(S(=O)(=O)O)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ GSTP1 P09211 1/20 0.46
▸ RAPGEF3 O95398 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CTRC Q99895 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CA1 P00915 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
SCHEMBL8082279 0.84 MAOA (0.41) TDP1ALDH1A1HSD17B10CA1CA2
SCHEMBL9507935 0.82 GSTP1 (0.53) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL3151094 0.82 HDAC7 (0.49) ALDH1A1SMN1; SMN2HPGDHSD17B10CA2
SCHEMBL1117961 0.82 PTGS2 (0.42) TDP1ALDH1A1HSD17B10CA1CA2
SCHEMBL3885747 0.81 MAOB (0.42) ALDH1A1SMN1; SMN2HSD17B10CA9AKR1C3
SCHEMBL8820277 0.80 HDAC7 (0.41) ALDH1A1HPGDKDM4EMAPTELANE
SCHEMBL9231992 0.78 TRPA1 (0.47) TDP1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4908035 0.78 MAOB (0.44) ALDH1A1HPGDTSHRHSD17B10CA9
SCHEMBL10372894 0.77 ALKBH3 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9HPGD
SCHEMBL6236657 0.77 CHRM1 (0.43) SMN1; SMN2CA9ESR2NPSR1ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287121-B1 HEAT AND LIGHT-SENSITIVE RECORDING MATERIAL AND RECORDING METHOD JUJO PAPER CO., LTD. (JP) 1993-08-04 — — EP disclosed
US-4853361-A FLUORAN-TYPE LEUCO DYES JUJO PAPER CO., LTD. (JP) 1989-08-01 — — US disclosed
EP-0287121-A2 Heat and light-sensitive recording material and recording method JUJO PAPER CO., LTD. (JP) 1988-10-19 — — EP disclosed
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