SCHEMBL20176721

SCHEMBL20176721

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)cc4)c4nc(C(F)(F)F)c(C)nc34)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.38
▸ HSD11B1 P28845 1/20 0.33
▸ GCGR P47871 2/20 0.32
▸ ENPP1 P22413 2/20 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 0.91 RARB (0.30) RARB
SCHEMBL20176723 0.88 — —
SCHEMBL20182253 0.86 RARB (0.32) RARBS1PR1S1PR3
SCHEMBL20182250 0.83 ENPP1 (0.43) ENPP1
SCHEMBL20182254 0.83 — —
SCHEMBL20176718 0.82 GCGR (0.36) RARBGCGRS1PR1
SCHEMBL20176717 0.80 KDM4E (0.41) RARBHSD11B1
SCHEMBL20176734 0.79 RARB (0.37) RARBGCGR
SCHEMBL20176725 0.77 RARB (0.45) RARBGCGRS1PR1S1PR3
SCHEMBL20176722 0.76 RARB (0.34) RARBGCGRS1PR1

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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