SCHEMBL13083704

SCHEMBL13083704

COc1nc(C(=O)c2ccc(SC)c(C(F)(F)F)c2)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LCK P06239 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ HSD17B14 Q9BPX1 4/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL13083681 0.88 CNR2 (0.40) CNR2ALDH1A1L3MBTL1LCKMAPK14
SCHEMBL2420780 0.88 NOTUM (0.37) CNR2ALDH1A1L3MBTL1NOTUMBRAF
SCHEMBL2420766 0.82 CNR2 (0.35) CNR2ALDH1A1HSD17B14
SCHEMBL2412215 0.79 BRAF (0.38) CNR2ALDH1A1L3MBTL1LCKMAPK14
SCHEMBL2415707 0.76 HPGD (0.40) CNR2ALDH1A1
SCHEMBL12284194 0.75 TAS1R3 (0.40) CNR2ALDH1A1L3MBTL1HSD17B14
SCHEMBL2412521 0.75 KIF11 (0.36) CNR2ALDH1A1L3MBTL1NOTUM
SCHEMBL2412539 0.72 MAPK1 (0.38) CNR2ALDH1A1L3MBTL1
SCHEMBL3493689 0.72 NOTUM (0.59) ALDH1A1L3MBTL1NOTUM
SCHEMBL2416376 0.70 SRD5A2 (0.44) CNR2ALDH1A1L3MBTL1NOTUM

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-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 — — EP disclosed
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