SCHEMBL8972597

SCHEMBL8972597

CNc1ccc2c(O)c(N=Nc3ccc4ccccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.52
PRMT3 O60678 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
PRMT1 Q99873 1/20 0.52
MPL P40238 1/20 0.51
CTRC Q99895 1/20 0.51
CD40 P25942 1/20 0.51
CD40LG P29965 1/20 0.51
CYP1A2 P05177 4/20 0.50
HIF1A Q16665 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 3/20 0.48
MAPK1 P28482 1/20 0.48
DNASE1L3 Q13609 1/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CTRB1 P17538 1/20 0.47

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
SCHEMBL8124361 0.90 CD40 (0.51) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL8124363 0.90 CD40 (0.51) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL8972663 0.87 ENPP2 (0.53) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL10392594 0.86 ENPP2 (0.47) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL14294563 0.85 ENPP2 (0.57) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL20746894 0.84 ENPP2 (0.56) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL14495369 0.83 CD40 (0.49) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL8972650 0.81 ENPP2 (0.46) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL8972611 0.80 MPL (0.53) ENPP2MPLCTRCCYP1A2HIF1A
SCHEMBL8904071 0.80 CD40 (0.55) ENPP2PRMT3EP300PRMT6PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481449-B1 Ink compositions for ink jet recording SUMITOMO CHEMICAL CO (JP) 1996-03-27 EP disclosed
US-5183501-A A water-soluble azo, phthalocyanine, anthraquinone, dioxazine or formazan dye having one or more-SO2-CH2-CH2-SO3H groups, a solvent and water; heat and water resistance; colorfastness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-02 US disclosed
EP-0481449-A2 Ink compositions for ink jet recording SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-22 EP disclosed