SCHEMBL20176720

SCHEMBL20176720

CCCCC(CC)CCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 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
SCHEMBL20182253 0.95 RARB (0.32) RARB
SCHEMBL20176721 0.91 RARB (0.38) RARB
SCHEMBL20176723 0.89 — —
SCHEMBL25070429 0.86 RARB (0.35) RARB
SCHEMBL18217140 0.85 GCGR (0.31) —
SCHEMBL20182254 0.84 — —
SCHEMBL21241756 0.84 RARB (0.32) RARB
SCHEMBL21019724 0.83 RARB (0.32) RARB
SCHEMBL18217156 0.83 SMN1; SMN2 (0.32) —
SCHEMBL25070451 0.82 — —

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-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
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