SCHEMBL14529670

SCHEMBL14529670

CS(=O)(=O)Nc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.69
▸ MAPK1 P28482 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ DNASE1L3 Q13609 1/20 0.68
▸ PRMT1 Q99873 1/20 0.65
▸ FUT8 Q9BYC5 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ ENPP2 Q13822 4/20 0.48
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ THRB P10828 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ PLEC Q15149 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APEX1 P27695 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL11763985 0.84 CYP1A2 (0.79) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL14500847 0.83 CYP1A2 (0.48) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL71580 0.83 CYP1A2 (0.73) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL15185212 0.82 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL14529255 0.81 CYP1A2 (0.56) CYP1A2MAPK1CYP2C9DNASE1L3MEN1
SCHEMBL14529431 0.81 CYP1A2 (0.56) CYP1A2MAPK1CYP2C9DNASE1L3MEN1
Pontacyl Violet 6R SCHEMBL10080484 0.81 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
Pontacyl Violet 6R SCHEMBL12282563 0.81 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
Pontacyl Violet 6R SCHEMBL29412925 0.81 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1
SCHEMBL11233580 0.80 PRMT1 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220843-B2 For use in recording fluids, especially for the inkjet printing CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-05-22 — — US disclosed
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