SCHEMBL13839144

SCHEMBL13839144

O=C(CSOOO)OSc1ccc2ccc(/N=N/c3c(SOOO)cc4cc(S(=O)(=O)O)cc(NC(=O)c5ccccc5)c4c3O)c(S(=O)(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ APEX1 P27695 1/20 0.40
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ FUT8 Q9BYC5 1/20 0.31
▸ PTPN11 Q06124 1/20 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
SCHEMBL14269273 0.81 ENPP2 (0.43) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL14075513 0.80 ENPP2 (0.46) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL14489027 0.79 ENPP2 (0.55) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL13839142 0.79 ENPP2 (0.60) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL10331479 0.77 ENPP2 (0.51) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL13599520 0.76 ENPP2 (0.45) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL14269271 0.76 ENPP2 (0.52) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL13940764 0.75 APEX1 (0.49) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL14585718 0.74 ENPP2 (0.38) ENPP2APEX1CYP1A2CYP2C9MAPK1
SCHEMBL13880973 0.73 ENPP2 (0.46) ENPP2APEX1CYP1A2CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7537651-B2 Ink composition having azo-based colorant and ink set using the same SAMSUNG ELECTRONICS CO., LTD (KR) 2009-05-26 — — US disclosed
US-20080092770-A1 INK COMPOSITION HAVING AZO-BASED COLORANT AND INK SET USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-24 — — US disclosed
Send feedback