SCHEMBL5720587

SCHEMBL5720587

CCOC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.56
▸ NT5E P21589 2/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ HPGD P15428 3/20 0.41
▸ PRMT1 Q99873 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ RECQL P46063 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL5720562 0.86 APEX1 (0.61) APEX1NT5ECYP1A2CYP2C9CYP2C19
SCHEMBL11606580 0.86 APEX1 (0.50) APEX1NT5ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL11603218 0.86 APEX1 (0.50) APEX1NT5ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL11605341 0.86 APEX1 (0.50) APEX1NT5ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL8113776 0.82 APEX1 (0.60) APEX1NT5ECYP2C9CYP2C19SMN1; SMN2
SCHEMBL1413179 0.80 APEX1 (0.64) APEX1NT5ECYP2C9CYP2C19ALDH1A1
SCHEMBL29516436 0.80 APEX1 (0.64) APEX1NT5ECYP2C9CYP2C19ALDH1A1
SCHEMBL29575995 0.80 APEX1 (0.64) APEX1NT5ECYP2C9CYP2C19ALDH1A1
SCHEMBL5720688 0.80 NT5E (0.45) APEX1NT5ECYP1A2CYP2C9CYP2C19
SCHEMBL8415047 0.80 APEX1 (0.68) APEX1NT5ECYP1A2CYP2C9CYP2C19

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
EP-1345992-B1 DISAZO DYES, AND COPPER COMPLEXES THEREOF, FOR DYEING PAPER CIBA SC HOLDING AG (CH) 2006-07-05 — — EP disclosed
EP-1345993-B1 USE OF COPPER COMPLEXES OF DISAZO DYES FOR DYEING NATURAL AND SYNTHETIC MATERIAL CIBA SC HOLDING AG (CH) 2006-03-08 — — EP disclosed
CN-1483063-A Disazo dyes and copper complexes thereof for dyeing paper �������⻯ѧƷ�ع����޹�˾ 2004-03-17 — — CN disclosed
EP-0555699-B1 Process for the preparation of aminourethanes BAYER AG (DE) 1998-01-07 — — EP disclosed
EP-0555699-A2 Aromatic compounds substituted by an urethane group and by an amino group BAYER AG (DE) 1993-08-18 — — EP disclosed
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