SCHEMBL20182253

SCHEMBL20182253

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 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
SCHEMBL20176720 0.95 RARB (0.30) RARB
SCHEMBL20182254 0.89 — —
SCHEMBL21241756 0.87 RARB (0.32) RARB
SCHEMBL21019724 0.86 RARB (0.32) RARB
SCHEMBL20176721 0.86 RARB (0.38) RARBS1PR1S1PR3
SCHEMBL20176723 0.84 — —
SCHEMBL25070429 0.84 RARB (0.35) RARBS1PR1S1PR3
SCHEMBL21772050 0.83 RARB (0.30) RARB
SCHEMBL18217140 0.83 GCGR (0.31) —
SCHEMBL19798352 0.83 RARB (0.30) RARB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738240-B2 Thiadiazoloquinoxaline derivatives MERCK PATENT GMBH (DE) 2020-08-11 — — US disclosed
US-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
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