SCHEMBL29682799

SCHEMBL29682799

Nc1ccc2c(OCCCS(=O)(=O)O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ NT5E P21589 3/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ NCF1 P14598 4/20 0.32
▸ PDE5A O76074 1/20 0.30

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
SCHEMBL1485804 1.00 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29682968 0.96 CASP6 (0.53) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1485837 0.96 CASP6 (0.53) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29683090 0.90 NT5E (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1485869 0.90 NT5E (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29682858 0.86 NT5E (0.53) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1485941 0.86 NT5E (0.53) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL18419442 0.84 CASP6 (0.64) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL23706460 0.83 HTR1B (0.38) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29740728 0.83 HTR1B (0.38) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945636-B Azo compound or salt thereof, polarizing film, polarizing plate, and display device 日本化药株式会社 2024-07-12 — — CN disclosed
CN-116261924-A Polarizing element, polarizing plate, and display device provided with same 日本化药株式会社 2023-06-13 — — CN disclosed
CN-114945636-A Azo compound or salt thereof, and dye-based polarizing film, dye-based polarizing plate, and display device containing the same 日本化药株式会社 2022-08-26 — — CN disclosed
CN-111433290-B Azo compound or salt thereof, and polarizing element, polarizing plate and display device each comprising the same 日本化药株式会社 2022-06-14 — — CN disclosed
WO-2022071201-A1 POLARIZING ELEMENT, POLARIZING PLATE, AND DISPLAY DEVICE PROVIDED WITH SAME 日本化薬株式会社 2022-04-07 — — WO disclosed
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