SCHEMBL10168977

SCHEMBL10168977

CS(=O)(=O)NCCNc1nc(NCc2ccccn2)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDH2 P48735 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
SYK P43405 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 1/20 0.38
PDE5A O76074 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 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
SCHEMBL15840096 0.89 KCNH3 (0.42) IDH2PDE5A
SCHEMBL10168975 0.87 KCNH2 (0.49) KCNH2ALDH1A1GAALMNAIDH2
SCHEMBL9924663 0.86 PDE5A (0.49) LMNASMN1; SMN2PDE5A
SCHEMBL13705645 0.85 CA1 (0.46)
SCHEMBL10198856 0.85 ROCK1 (0.41) IDH2PDE5A
SCHEMBL15804187 0.85 RECQL (0.50) ALDH1A1TDP1IDH2
SCHEMBL15804169 0.85 GBA1 (0.39) IDH2PDE5A
SCHEMBL10168992 0.84 PDE5A (0.42) LMNAIDH2SMN1; SMN2PDE5A
SCHEMBL13012818 0.84 GBA1 (0.41) IDH2PDE5A
SCHEMBL12421840 0.84 CA9 (0.47) ALDH1A1KMT2A

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