SCHEMBL14402856

SCHEMBL14402856

Nc1ccc2c(O[SH](=O)=O)cc(S(=O)(=O)O)cc2c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CASP6 P55212 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NSD2 O96028 2/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NT5E P21589 3/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SENP3 Q9H4L4 4/20 0.31
▸ SENP2 Q9HC62 4/20 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
SCHEMBL29682975 0.76 ALDH1A1 (0.37) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1485994 0.76 ALDH1A1 (0.37) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL30052645 0.76 ALDH1A1 (0.50) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL713434 0.76 CASP6 (0.55) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29516387 0.76 CASP6 (0.55) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1755228 0.76 ALDH1A1 (0.50) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29415548 0.76 CASP6 (0.55) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6123917 0.76 CYP1A2 (0.61) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL13852255 0.75 CYP1A2 (0.43) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL10050900 0.74 CYP1A2 (0.42) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070242100-A1 IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-18 — — US disclosed
US-7247196-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-07-24 — — US disclosed
US-7198665-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-04-03 — — US disclosed
US-7198664-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-04-03 — — US disclosed
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