SCHEMBL14259378

SCHEMBL14259378

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc(O)c(N=Nc4cc(SOOO)ccc4O)cc3O)c(O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.36
▸ PRMT1 Q99873 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ AMY1A P0DUB6 4/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ FUT8 Q9BYC5 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ PLEC Q15149 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ THRB P10828 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
SCHEMBL14259356 0.87 PRMT1 (0.47) ENPP2PRMT1APEX1CYP1A2MAPK1
SCHEMBL13839141 0.83 ENPP2 (0.49) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL14372037 0.83 ENPP2 (0.40) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL14488860 0.82 ENPP2 (0.41) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL14372000 0.80 ENPP2 (0.35) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL14259343 0.80 CYP1A2 (0.40) ENPP2PRMT1CYP1A2MAPK1CYP2C9
SCHEMBL13880994 0.79 PRMT1 (0.36) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL13880978 0.79 ENPP2 (0.36) ENPP2PRMT1APEX1CYP1A2CA2
SCHEMBL14259351 0.78 THRB (0.40) ENPP2PRMT1AMY1ACA2CA3
SCHEMBL14075515 0.78 PRMT1 (0.41) ENPP2PRMT1APEX1CA2CA3

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-20080063800-A1 Transition metal complex in liquid medium of water, organic solvent; substituted phenylene or naphthylene; carboxy, sulpho, phosphate water solubilising groups; text, picture, photorealistic; paper, plastic, textile, metal, glass; neutral black shades; storage stability; low tendency to block fine nozzle FUJIFILM IMAGING COLORANTS LIMITED (GB) 2008-03-13 — — US disclosed
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