SCHEMBL11424803

SCHEMBL11424803

NC(=O)Nc1cc(N)ccc1N=Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 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 0.38
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ TSHR P16473 2/20 0.37

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
SCHEMBL9626740 0.93 ENPP2 (0.47) ENPP2TDP1ALDH1A1KDM4EPOLB
SCHEMBL9626874 0.93 ENPP2 (0.47) ENPP2TDP1ALDH1A1KDM4EPOLB
SCHEMBL11337114 0.91 ENPP2 (0.43) ENPP2TDP1ALDH1A1APEX1KDM4E
SCHEMBL11750629 0.88 ENPP2 (0.52) ENPP2TDP1KDM4EMAPTCASP6
SCHEMBL14625743 0.88 ALDH1A1 (0.44) ENPP2TDP1ALDH1A1KDM4EMAPT
SCHEMBL11425279 0.86 ALDH1A1 (0.44) ENPP2TDP1ALDH1A1APEX1KDM4E
SCHEMBL9626814 0.84 ENPP2 (0.56) ENPP2TDP1ALDH1A1KDM4EPOLB
SCHEMBL5840703 0.84 ENPP2 (0.51) ENPP2TDP1ALDH1A1POLBMAPT
SCHEMBL5840682 0.84 ENPP2 (0.51) ENPP2TDP1ALDH1A1POLBMAPT
SCHEMBL9627296 0.84 MEN1 (0.43) ENPP2TDP1ALDH1A1APEX1KDM4E

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-4242259-A TRIAZINE DYES, COTTON BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
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