SCHEMBL10337017

SCHEMBL10337017

CCCCCCCCCCCCCCCCn1c(=N)sc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.54
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
TLR8 Q9NR97 2/20 0.47
NTSR1 P30989 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL17404829 1.00 F12 (0.54) F12CNR1CNR2TLR8NTSR1
Iodide SCHEMBL965881 0.92 F12 (0.56) F12CNR1CNR2TLR8NPC1
SCHEMBL11776240 0.83 DRD2 (0.53) CNR1CNR2TLR8
SCHEMBL4616279 0.83 NPC1 (0.61) NPC1RAB9A
SCHEMBL6741877 0.83 DRD2 (0.53) CNR1CNR2TLR8
SCHEMBL10337016 0.83 CNR1 (0.46) CNR1CNR2TLR8
SCHEMBL8641172 0.81 F12 (0.58) F12NPC1ALDH1A1RAB9ANPSR1
SCHEMBL6419192 0.81 CYP3A4 (0.62) NPC1RAB9A
SCHEMBL11064413 0.80 F12 (0.53) F12NPC1ALDH1A1HTTRAB9A
SCHEMBL4614097 0.79 CNR1 (0.55) CNR1CNR2TLR8MEN1ALDH1A1

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-4980265-A SILVER HALIDE EMULSION AND DYE RELEASING COMPOUND ON SUPPORT FUJI PHOTO FILM CO., LTD. (JP) 1990-12-25 US disclosed