SCHEMBL10169002

SCHEMBL10169002

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
VCP P55072 1/20 0.41
PDE5A O76074 4/20 0.41
RHOA P61586 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
SYK P43405 1/20 0.40
NAMPT P43490 1/20 0.39
KCNH3 Q9ULD8 2/20 0.39
IDH2 P48735 1/20 0.39
VNN1 O95497 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL9924663 0.91 PDE5A (0.49) PDE5AKCNH3KDM4ELMNAMAPT
SCHEMBL10168992 0.91 PDE5A (0.42) PDE5AKCNH3IDH2KDM4ELMNA
SCHEMBL15840096 0.88 KCNH3 (0.42) PDE5AKCNH3IDH2
SCHEMBL10168999 0.87 VCP (0.47) VCPPDE5ARHOASYKKCNH3
SCHEMBL13705645 0.84 CA1 (0.46) KCNH3
SCHEMBL15804187 0.84 RECQL (0.50) KCNH3IDH2MAPT
SCHEMBL10198856 0.84 ROCK1 (0.41) PDE5AKCNH3IDH2NPC1RAB9A
SCHEMBL15804169 0.84 GBA1 (0.39) PDE5AKCNH3IDH2
SCHEMBL13012818 0.83 GBA1 (0.41) PDE5AKCNH3IDH2
SCHEMBL12421840 0.83 CA9 (0.47) KMT2AMAPT

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