SCHEMBL1754814

SCHEMBL1754814

NCCNc1nc(NCc2ccccc2)nc(Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
CHAT P28329 4/20 0.41
APEX1 P27695 2/20 0.41
USP2 O75604 1/20 0.41
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 7/20 0.40
KCNH3 Q9ULD8 1/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 2/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.39
APOBEC3A P31941 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL1754808 0.92 GBA1 (0.43) GBA1CA1CA2CA9KCNH3
SCHEMBL15488931 0.89 CA1 (0.47) GBA1CHATAPEX1USP2CA1
SCHEMBL1754846 0.87 FUT8 (0.41) GBA1APEX1CA1CA2CA9
SCHEMBL1754899 0.85 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL15836276 0.82 CA1 (0.45) CHATAPEX1USP2CA1CA2
SCHEMBL1754841 0.82 CA9 (0.41) CA1CA2CA9CA12CA14
SCHEMBL13012912 0.79 CA12 (0.47) GBA1CA1CA2CA9CA12
SCHEMBL13705652 0.78 KDM4E (0.40) CHATAPEX1USP2CA1CA2
SCHEMBL12745398 0.78 CA1 (0.42) CHATAPEX1USP2CA1CA2
SCHEMBL15255510 0.78 CA9 (0.42) CHATAPEX1USP2CA1CA2

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-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
EP-2441806-A1 PORPHYRAZINE DYE, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed