SCHEMBL8550780

SCHEMBL8550780

CCOCCOc1ccnc(-n2c(SC)nc3cc(C(F)(F)F)ccc32)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ CACNA1D Q01668 1/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ USP2 O75604 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
SCHEMBL8667811 0.89 CACNA1D (0.36) CACNA1DCNR2PTGDR2USP2
SCHEMBL8552335 0.88 CACNA1D (0.33) CACNA1DPTGDR2
SCHEMBL8551852 0.88 NCF1 (0.33) RXRAPPARGNR1H3POLBNCF1
SCHEMBL8547164 0.85 TDP1 (0.38) RXRAPPARGNR1H3NCF1
SCHEMBL8551375 0.83 KDM4E (0.39) POLBL3MBTL1NCF1
SCHEMBL8550785 0.79 PPARG (0.36) RXRAPPARGNR1H3CACNA1DCNR2
SCHEMBL8553294 0.73 S1PR4 (0.33) —
SCHEMBL8550417 0.73 RXRA (0.34) RXRAPPARGNR1H3CACNA1DCNR2
SCHEMBL8672349 0.73 TLR8 (0.39) —
SCHEMBL8668302 0.72 CACNA1D (0.35) CACNA1DCNR2PTGDR2USP2

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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