SCHEMBL9480291

SCHEMBL9480291

[c]1cc(SCc2ccccc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
RAB9A P51151 3/20 0.39
SLC6A4 P31645 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
DAO P14920 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKX P51817 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL8941647 0.80 CYP1A2 (0.46) MAOAMAOBCYP3A4CYP1A2HIF1A
SCHEMBL971097 0.79 APP (0.53) HSD17B10MAOAMAOBRAB9ANPC1
SCHEMBL11159851 0.75 CYP1A2 (0.60) HSD17B10MAOAMAOBRAB9ASLC6A4
SCHEMBL9216740 0.73 DDAH1 (0.41) HSD17B10MAOAMAOBSLC6A4SMN1; SMN2
SCHEMBL9481328 0.71 HSD17B10 (0.43) HSD17B10MAOAMAOBRAB9ASLC6A4
SCHEMBL332623 0.71 MAOA (0.63) HSD17B10MAOAMAOBRAB9ASLC6A4
SCHEMBL442875 0.70 MAOA (0.49) HSD17B10MAOAMAOBRAB9ASLC6A4
SCHEMBL7015159 0.69 CALM1 (0.50) LMNACYP1A2
SCHEMBL28084553 0.69 MAOA (0.61) HSD17B10MAOAMAOBRAB9ASLC6A4
SCHEMBL4366554 0.69 MEN1 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed