SCHEMBL8178792

SCHEMBL8178792

CCCCCn1cc(Br)nc(CS)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
MAPT P10636 2/20 0.37
TLR8 Q9NR97 6/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL28430815 0.74 TLR8 (0.42) TLR8KMT2A
SCHEMBL7507515 0.71 LTK (0.30)
SCHEMBL23214426 0.66 GRM2 (0.35) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4685541 0.64 TDP1 (0.41) MAPTTLR8PTGS1PTGS2MGLL
SCHEMBL925383 0.63 BRD4 (0.35)
SCHEMBL25849475 0.62 MAPT (0.47) CNR2MAPTNPC1RAB9APTGS1
SCHEMBL23122711 0.62 CNR2 (0.44) CNR2MAPTTLR8NPC1RAB9A
SCHEMBL8993091 0.61 EP300 (0.47) TLR8
SCHEMBL28383917 0.61 TLR8 (0.62) MAPTTLR8NPC1RAB9ASMN1; SMN2
SCHEMBL23374492 0.61 MAPT (0.46) CNR2MAPTNPC1RAB9APTGS1

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-6159980-A Pyrazinones and triazinones and their derivatives thereof DUPONT PHARMACEUTICALS COMPANY (US) 2000-12-12 US disclosed