SCHEMBL9843680

SCHEMBL9843680

CCCCc1nc(C)c(C)c(O)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
GPR84 Q9NQS5 5/20 0.31
NOS2 P35228 1/20 0.31
APLNR P35414 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL9843662 0.81 MAPT (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9843881 0.81 MAPT (0.37) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL12712130 0.79 ADORA2A (0.31)
SCHEMBL9843764 0.78 GCGR (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9738686 0.76 PDE4A (0.33) TLR8TLR7SIRT1NOS2
SCHEMBL9738954 0.76 ADORA2A (0.40) TLR8TLR7CASP1SIRT1NOS2
SCHEMBL10922045 0.76
SCHEMBL2229077 0.75 LMNA (0.45) HPGDHTTMAPTLMNA
SCHEMBL27477358 0.74 MAPT (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28868241 0.73 LMNA (0.42) NPC1HPGDMAPK1HTTRAB9A

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
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed