SCHEMBL11062392

SCHEMBL11062392

O=C1C(S(=O)(=O)O)=CC(=O)c2c1ccc1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NSD2 O96028 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL11052751 0.88 NSD2 (0.51) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8205668 0.79 DNMT1 (0.51) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL4176256 0.78 DNMT1 (0.54) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9550498 0.76 DNMT1 (0.45) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11055738 0.73 GAPDH (0.45) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12236188 0.73 DNMT1 (0.67) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7122517 0.73 DNMT1 (0.73) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19230420 0.73 DNMT1 (0.73) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30362207 0.73 DNMT1 (0.67) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28902762 0.72 GAPDH (0.44) DNMT1ALDH1A1MEN1KMT2AMAPT

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
US-4325936-A REDUCTION, ABSORPTION UNION OIL COMPANY OF CALIFORNIA (US) 1982-04-20 — — US claimed
US-4432962-A USING REGENERABLE WASHING SOLUTION CONTAINING VANADIUM, THIOCYANATE COMPOUND, COMPLEXING AGENT, WATER SOLUBLE QUINONE AND NONQUINONE COMPOUND UNION OIL COMPANY OF CALIFORNIA (US) 1984-02-21 — — US disclosed
US-4325936-A REDUCTION, ABSORPTION UNION OIL COMPANY OF CALIFORNIA (US) 1982-04-20 — — US disclosed
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