SCHEMBL16213858

SCHEMBL16213858

CCc1nc(Nc2cccc(S(=O)(=O)O)c2)nc(SCCS(=O)(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.38
PDE4D Q08499 5/20 0.38
PDE5A O76074 4/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TNNI3K Q59H18 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17033131 0.85 PDE5A (0.33) PDE5ASNCAKDM4ENPC1RAB9A
SCHEMBL16213845 0.83 KCNH3 (0.41) PDE4BPDE4DPDE5ATNNI3KRECQL
SCHEMBL15984412 0.81 CA1 (0.43) PDE5ASMN1; SMN2
SCHEMBL16213857 0.81 PDE4B (0.43) PDE4BPDE4DPDE5ASNCAKDM4E
SCHEMBL16213862 0.81 SNCA (0.50) PDE4BPDE4DSNCATNNI3K
SCHEMBL16213850 0.80 NPC1 (0.51) PDE4BPDE4DKDM4ENPC1RAB9A
SCHEMBL5528958 0.78 IDH2 (0.45) PDE4BPDE4DPDE5ASNCAALDH1A1
SCHEMBL15804167 0.77 KCNH3 (0.35) PDE5ASMN1; SMN2
SCHEMBL10490862 0.74 SNCA (0.54) PDE5ASNCAALDH1A1TNNI3K
SCHEMBL15984429 0.73 PDE5A (0.33) PDE5A

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-8876915-B2 Coloring composition and ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-11-04 US disclosed