SCHEMBL8240581

SCHEMBL8240581

CCOc1cc(C)c2sc(C)c(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ELANE P08246 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PRKCI P41743 1/20 0.31
▸ CDC7 O00311 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
SCHEMBL8273078 0.86 MAPK1 (0.36) MAPK1KDM4EHSD17B10POLBMAPT
SCHEMBL13409397 0.83 MAPK1 (0.35) MAPK1KDM4EHSD17B10POLBMAPT
SCHEMBL8130016 0.83 KDM4E (0.41) MAPK1KDM4EHSD17B10POLBMAPT
SCHEMBL8247673 0.68 ADORA2A (0.39) MAPK1KDM4EHSD17B10POLBELANE
SCHEMBL14853028 0.67 SMN1; SMN2 (0.36) MAPK1ELANEPIK3CDPIK3CAPIK3CB
SCHEMBL3054261 0.66 MAPT (0.37) MAPK1KDM4EHSD17B10POLBMAPT
SCHEMBL8272632 0.66 MAPT (0.43) MAPK1KDM4EHSD17B10MAPTELANE
SCHEMBL8273081 0.66 MAPT (0.57) KDM4EMAPTRXFP1ELANESMN1; SMN2
SCHEMBL5942127 0.65 NOS3 (0.43) MAPK1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL8271690 0.65 MAPT (0.43) KDM4EHSD17B10MAPTALDH1A1

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
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 — — WO disclosed
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