SCHEMBL20176725

SCHEMBL20176725

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)cc4)c4nc(CC)c(CC)nc34)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.45
▸ GCGR P47871 9/20 0.37
▸ RARA P10276 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ MPL P40238 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL18217161 0.88 RARB (0.34) RARBGCGRS1PR1S1PR3
SCHEMBL18217286 0.86 RARB (0.34) RARBGCGR
SCHEMBL20176722 0.85 RARB (0.34) RARBGCGRS1PR1
SCHEMBL18418545 0.85 RARB (0.53) RARBGCGRRARARARGS1PR1
SCHEMBL25070534 0.82 RARB (0.31) RARBGCGR
SCHEMBL25070666 0.81 — —
SCHEMBL17694335 0.80 RARB (0.48) RARBGCGRRARARARGS1PR1
SCHEMBL25070667 0.79 GCGR (0.31) GCGR
SCHEMBL25070429 0.79 RARB (0.35) RARBGCGRS1PR1S1PR3
SCHEMBL25070664 0.78 CRHR1 (0.32) GCGR

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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