SCHEMBL8146236

SCHEMBL8146236

CCCCCCn1ccn(CCCCCC)c1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
HTT P42858 6/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GALR3 O60755 2/20 0.42
ATM Q13315 2/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
HSP90AA1 P07900 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAD52 P43351 1/20 0.42
PAX8 Q06710 1/20 0.42
NR2F2 P24468 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL2514962 0.98 TLR8 (0.47) TLR8NPC1RAB9AHTTPOLB
SCHEMBL22504083 0.96 TLR8 (0.43) TLR8NPC1RAB9AHTTPOLB
SCHEMBL19303315 0.94 TLR8 (0.42) TLR8NPC1RAB9AHTTPOLB
SCHEMBL12122681 0.90 LPO (0.46) TLR8NPC1RAB9AHTTPOLB
SCHEMBL12122682 0.90 LPO (0.46) TLR8NPC1RAB9AHTTPOLB
SCHEMBL972632 0.90 LPO (0.46) TLR8NPC1RAB9AHTTPOLB
SCHEMBL587358 0.80 LPO (0.50) TLR8NPC1RAB9APOLBLMNA
SCHEMBL5670030 0.74 LPO (0.44)
SCHEMBL6678530 0.74 PTGS1 (0.48) TLR8NPC1RAB9AHTTPOLB
SCHEMBL11612693 0.74 EEF2K (0.44) TLR8NPC1RAB9AHTTPOLB

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-6025496-A Process for preparing heterocyclic carbenes CELANESE GMBH (DE) 2000-02-15 US disclosed