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Sugi Predict / Compounds / SCHEMBL25100892

SCHEMBL25100892

SCHEMBL25100892

Cc1ccc(-c2ccc(CCc3cc(CCc4ccc(-c5ccc(C)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(OS(=O)(=O)C(F)(F)F)c(C)cn5)cc4)c3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.35
▸ BRS3 P32247 10/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 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
SCHEMBL25100893 0.91 BRS3 (0.36) BRS3FFAR1FFAR4
SCHEMBL23956245 0.91 PTGS2 (0.39) PTGS2CYP3A4PPARDKDM4EALDH1A1
SCHEMBL25100897 0.88 PTGS2 (0.33) PTGS2BRS3CHRM5CYP3A4CYP11B1
SCHEMBL25100496 0.85 EDNRA (0.36) BRS3CHRM5FFAR1FFAR4
SCHEMBL25100802 0.84 BRS3 (0.35) PTGS2BRS3CHRM5FFAR1
SCHEMBL21289928 0.84 BRS3 (0.38) BRS3CYP3A4CYP11B1CYP11B2
SCHEMBL25100764 0.83 CHRM5 (0.36) CHRM5CYP3A4CYP11B1CYP11B2PPARD
SCHEMBL25100796 0.81 CHRM5 (0.39) CHRM5CYP3A4CYP11B1CYP11B2
SCHEMBL23956168 0.81 EDNRB (0.37) PTGS2
SCHEMBL23956253 0.79 PTGS2 (0.39) PTGS2CYP3A4SCN9A

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-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 — — EP disclosed