SCHEMBL13560652

SCHEMBL13560652

Cc1ccc2[nH]c3cc4c(=O)c5c(C)c(C)ccc5[nH]c4cc3c(=O)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
PDE2A O00408 1/20 0.44
P2RY12 Q9H244 1/20 0.44
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL13560654 0.91 MEN1 (0.58) STING1NPC1MEN1POLBKMT2A
SCHEMBL29445801 0.89 MEN1 (0.60) STING1P2RY12NPC1MEN1POLB
SCHEMBL28685441 0.82 GAA (0.57) NPC1MEN1POLBKMT2AKDM4E
Phosphoric Acid SCHEMBL8024519 0.76 MEN1 (0.49) NPC1MEN1POLBKMT2AKDM4E
SCHEMBL1623091 0.73 PDE2A (0.42) PDE3BPDE3APDE2AP2RY12MEN1
SCHEMBL31621155 0.72 NQO1 (0.39) PDE3BPDE3ANPC1MEN1POLB
SCHEMBL31621154 0.72 NQO1 (0.39) PDE3BPDE3ANPC1MEN1POLB
SCHEMBL13560656 0.71 GRIN2D (0.52) STING1NPC1MEN1POLBKMT2A
SCHEMBL29475421 0.71 NPC1 (0.76) NPC1MEN1POLBKMT2AKDM4E
SCHEMBL276094 0.71 NPC1 (0.76) NPC1MEN1POLBKMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-8298736-B2 Electrophotographic toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-10-30 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed
US-20090291381-A1 ELECTROPHOTOGRAPHIC TONER KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-11-26 US disclosed