SCHEMBL17033128

SCHEMBL17033128

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
NOD1 Q9Y239 2/20 0.47
POLB P06746 3/20 0.45
MAPT P10636 6/20 0.41
USP2 O75604 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
JAK2 O60674 1/20 0.40
TNF P01375 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC29A2 Q14542 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL17033141 0.89 NPC1 (0.43) NPC1RAB9ANOD1POLBMAPT
SCHEMBL16213850 0.89 NPC1 (0.51) NPC1RAB9ANOD1POLBMAPT
SCHEMBL17033132 0.88 SNCA (0.38) NPC1RAB9AJAK2SMN1; SMN2KDM4E
SCHEMBL17033137 0.88 SNCA (0.46) JAK2ENPP3ENPP1CHAT
SCHEMBL17033143 0.85 IDH2 (0.42) POLBKMT2AALDH1A1
SCHEMBL17033129 0.83 GBA1 (0.39) RECQLENPP3ENPP1CHAT
SCHEMBL17033130 0.82 ALDH1A1 (0.40) NPC1RAB9ANOD1POLBMAPT
SCHEMBL15984406 0.80 CA1 (0.54) NPC1RAB9ANOD1MAPTLMNA
SCHEMBL17033142 0.79 CA1 (0.46) ENPP3ENPP1CHAT
SCHEMBL17033131 0.79 PDE5A (0.33) NPC1RAB9AKMT2AMEN1RECQL

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