SCHEMBL27445248

SCHEMBL27445248

O=C=Nc1cccc(SCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
DAO P14920 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SLC6A4 P31645 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10808121 0.86 MAOA (0.48) MAOAMAOBRAB9ACYP3A4TSHR
SCHEMBL6154789 0.84 MIF (0.48) MAOAMAOBDAOPPARGPPARA
SCHEMBL2651634 0.79 GABRA1 (0.42) MAOASLC6A4CYP3A4TSHR
SCHEMBL11530319 0.79 MAPK1 (0.38) CYP3A4TSHR
SCHEMBL9063136 0.78 APEX1 (0.55) HSD17B10SMN1; SMN2TSHRKDM4EMEN1
SCHEMBL6153598 0.77 MIF (0.43) MAOAMAOBDAOPPARGPPARA
SCHEMBL31134964 0.76 MAPK1 (0.44) MAOAMAOBCYP3A4TSHR
SCHEMBL8937136 0.76 MAPK1 (0.44) MAOAMAOBCYP3A4TSHR
SCHEMBL9315146 0.76 MAPK1 (0.44) HSD17B10SMN1; SMN2CYP3A4TSHRMAPT
SCHEMBL10809049 0.76 MAOB (0.38) MAOAMAOBCYP3A4TSHRMCL1

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
CN-1122803-A Benzoxazolyl- and benzothiazolyloxazolidinones BAYER AG (DE) 1996-05-22 CN disclosed