SCHEMBL10168992

SCHEMBL10168992

CS(=O)(=O)NCCNc1nc(NCc2ccc(S(=O)(=O)O)cc2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.42
CA9 Q16790 8/20 0.42
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
KCNH3 Q9ULD8 2/20 0.40
IDH2 P48735 1/20 0.39
CA12 O43570 1/20 0.38
FCGR3B O75015 1/20 0.38
FCGR1A P12314 1/20 0.38
FCGR2A P12318 1/20 0.38
CSF1R P07333 1/20 0.38
TYK2 P29597 1/20 0.38
SNCA P37840 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9924663 0.94 PDE5A (0.49) PDE5AKCNH3SNCAKDM4ELMNA
SCHEMBL13705645 0.93 CA1 (0.46) CA9CA1CA2KCNH3CA12
SCHEMBL15840096 0.92 KCNH3 (0.42) PDE5ACA9CA1CA2KCNH3
SCHEMBL10169002 0.91 KMT2A (0.46) PDE5AKCNH3IDH2KDM4ELMNA
SCHEMBL10168986 0.89 CA9 (0.50) CA9CA1CA2KCNH3CA12
SCHEMBL15804169 0.88 GBA1 (0.39) PDE5ACA9CA1CA2KCNH3
SCHEMBL15804187 0.88 RECQL (0.50) CA9CA1CA2KCNH3IDH2
SCHEMBL10198856 0.88 ROCK1 (0.41) PDE5ACA9CA1CA2KCNH3
SCHEMBL12421840 0.87 CA9 (0.47) CA9CA1CA2CA12MAPT
SCHEMBL13012818 0.87 GBA1 (0.41) PDE5ACA9CA1CA2KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
US-20120081457-A1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-04-05 US disclosed