SCHEMBL11267203

SCHEMBL11267203

CCC1=C(CC)N(c2ccccc2)CC=N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
SHMT2 P34897 1/20 0.34
GRM2 Q14416 5/20 0.33
DHFR P00374 1/20 0.33
SIGMAR1 Q99720 4/20 0.33
CHRNA7 P36544 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
DRD2 P14416 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
SCHEMBL11748730 0.67 MEN1 (0.48) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL11568355 0.67 MAPT (0.40) MAPTATMSIGMAR1MEN1NPC1
SCHEMBL12821098 0.65 SIGMAR1 (0.40) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL2277437 0.63 SIGMAR1 (0.36) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL30309571 0.63 SIGMAR1 (0.39) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL28485542 0.63 SIGMAR1 (0.39) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL28975392 0.63 SIGMAR1 (0.39) MAPTSIGMAR1MEN1NPC1RAB9A
SCHEMBL10966351 0.61 DHFR (0.36) MAPTATMSHMT2GRM2DHFR
SCHEMBL28062310 0.56 ATM (0.41) MAPTATMSHMT2GRM2DHFR
SCHEMBL4989931 0.56 NPC1 (0.37) MAPTSIGMAR1MEN1NPC1RAB9A

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-4323092-A UTILIZING AN ELECTRODE OF AN ALLOY OF GOLD WITH NICKEL, COPPER OR IRON CORVINUS & ROTH GMBH (DE) 1982-04-06 US disclosed