SCHEMBL8550785

SCHEMBL8550785

CCOCCOc1ccnc(-c2nc3cc(C(F)(F)F)ccc3n2SC)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ CNR2 P34972 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ NCF1 P14598 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL8667814 0.89 HTR2B (0.34) CNR2USP2CACNA1DHTR2BHTR6
SCHEMBL8552344 0.87 S1PR1 (0.30) CNR2
SCHEMBL8551858 0.87 NCF1 (0.34) PPARGRXRANR1H3NCF1
SCHEMBL8547167 0.85 TDP1 (0.41) PPARGRXRANR1H3NCF1PIK3CA
SCHEMBL8550783 0.83 USP2 (0.34) CNR2USP2CACNA1DHTR2BHTR6
SCHEMBL8550417 0.83 RXRA (0.34) PPARGRXRANR1H3CNR2USP2
SCHEMBL8550349 0.83 KDM4E (0.42) NCF1ALDH1A1
SCHEMBL8672813 0.83 CXCR3 (0.34) USP2HTR2BHTR6PTGDR2
SCHEMBL8552341 0.81 PDE2A (0.33) RXRACNR2USP2CACNA1DHTR2B
SCHEMBL8550780 0.79 RXRA (0.37) PPARGRXRANR1H3CNR2USP2

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-5708013-A BENZIMIDAZOLESULFOXIDE DERIVATIVES EISAI CO., LTD. (JP) 1998-01-13 — — US disclosed
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