SCHEMBL11337114

SCHEMBL11337114

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NT5E P21589 3/20 0.39
▸ TIMP3 P35625 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38

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
SCHEMBL11424803 0.91 ENPP2 (0.43) ENPP2ALDH1A1TDP1APEX1KDM4E
SCHEMBL5840691 0.90 ENPP2 (0.51) ENPP2ALDH1A1TDP1POLBMAPT
SCHEMBL5840682 0.90 ENPP2 (0.51) ENPP2ALDH1A1TDP1POLBMAPT
SCHEMBL5840703 0.90 ENPP2 (0.51) ENPP2ALDH1A1TDP1POLBMAPT
SCHEMBL11425279 0.87 ALDH1A1 (0.44) ENPP2ALDH1A1TDP1APEX1KDM4E
SCHEMBL9238793 0.85 NT5E (0.41) ENPP2ALDH1A1TDP1NSD2CASP6
SCHEMBL6030186 0.85 NT5E (0.41) ENPP2ALDH1A1TDP1NSD2CASP6
SCHEMBL4699280 0.85 NT5E (0.41) ENPP2ALDH1A1TDP1NSD2CASP6
SCHEMBL9626874 0.85 ENPP2 (0.47) ENPP2ALDH1A1TDP1KDM4EPOLB
SCHEMBL9626740 0.85 ENPP2 (0.47) ENPP2ALDH1A1TDP1KDM4EPOLB

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-4255325-A AZO, ANTHRAQUINONE, FORMAZANE, AND PHTHALOCYANINE DYES; COLOR AND WASHFASTNESS; AMINO HALO TRIAZINE CARBAZIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 — — US disclosed
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