SCHEMBL27932425

SCHEMBL27932425

NC(=O)Nc1cc(N)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ ATIC P31939 1/20 0.31
▸ SUMO2 P61956 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
SCHEMBL6747956 1.00 ENPP2 (0.36) ENPP2HSD17B10THRBAPEX1KDM4E
SCHEMBL27948248 0.91 ENPP2 (0.45) ENPP2HSD17B10THRBKDM4EALDH1A1
SCHEMBL6726728 0.88 THRB (0.42) ENPP2HSD17B10THRBALDH1A1POLB
SCHEMBL18813452 0.87 NT5E (0.34) ENPP2HSD17B10THRBAPEX1NSD2
SCHEMBL14388844 0.86 ENPP2 (0.33) ENPP2CD40CD40LG
SCHEMBL11337114 0.85 ENPP2 (0.43) ENPP2HSD17B10THRBAPEX1KDM4E
SCHEMBL14546749 0.84 TDP1 (0.36) ENPP2HSD17B10THRBAPEX1KDM4E
SCHEMBL14546769 0.83 APEX1 (0.36) ENPP2THRBAPEX1KDM4ENSD2
SCHEMBL18813724 0.82 ENPP2 (0.38) ENPP2HSD17B10THRBALDH1A1MAPT
SCHEMBL6747988 0.81 CA12 (0.36) ENPP2THRBKIF11CD40CD40LG

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
CN-103509371-A Reactive dye EVERLIGHT CHEM IND CORP 2014-01-15 — — CN disclosed
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