SCHEMBL17033131

SCHEMBL17033131

CCNCc1nc(Nc2cccc(S(=O)(=O)O)c2)nc(SCCCS(=O)(=O)O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
MTOR P42345 1/20 0.32
SMG1 Q96Q15 1/20 0.32
SRC P12931 2/20 0.32
PDGFRB P09619 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SNCA P37840 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
CHAT P28329 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TNNI3K Q59H18 1/20 0.31

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
SCHEMBL16213858 0.85 PDE4B (0.38) PDE5ASRCPDGFRBALDH1A1SMN1; SMN2
SCHEMBL15984412 0.83 CA1 (0.43) PDE5ACDK1CDK2MTORSMG1
SCHEMBL17033129 0.82 GBA1 (0.39) PDE5AENPP3ENPP1CHATRECQL
SCHEMBL17033132 0.80 SNCA (0.38) PDE5ACDK1MTORSMG1SMN1; SMN2
SCHEMBL17033137 0.80 SNCA (0.46) SNCAENPP3ENPP1CHATTNNI3K
SCHEMBL17033128 0.79 NPC1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL15804167 0.79 KCNH3 (0.35) PDE5ACDK1CDK2MTORSMG1
SCHEMBL17033143 0.77 IDH2 (0.42) PDE5ACDK1MTORSMG1ALDH1A1
SCHEMBL15984429 0.77 PDE5A (0.33) PDE5A
SCHEMBL17033142 0.72 CA1 (0.46) PDE5ASNCAENPP3ENPP1CHAT

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-20150240096-A1 COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD FOR INKJET RECORDING, INKJET PRINTER CARTRIDGE, AND INKJET RECORDING MATERIAL FUJIFILM CORPORATION (JP) 2015-08-27 US disclosed