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SCHEMBL20176737

SCHEMBL20176737

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)s4)c4nc(-c5cccs5)c(-c5cccs5)nc34)s2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ ADK P55263 1/20 0.32
▸ ALOX15B O15296 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ NR1H4 Q96RI1 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
SCHEMBL18217176 0.89 — —
SCHEMBL18217194 0.87 — —
SCHEMBL20176718 0.85 GCGR (0.36) RARBPCSK9GCGRGPR3
SCHEMBL20176736 0.84 ALOX15B (0.38) ADKALOX15BALOX12NR1H4
SCHEMBL20176722 0.84 RARB (0.34) RARBPCSK9GCGRGPR3
SCHEMBL20176729 0.82 RARB (0.35) RARBGCGRGPR3
SCHEMBL17694364 0.81 RARB (0.36) RARBGCGRGPR3
SCHEMBL17694315 0.81 RARB (0.40) RARBGCGRGPR3
SCHEMBL17694324 0.80 RARB (0.39) RARBPCSK9GCGRGPR3
SCHEMBL17694316 0.80 RARB (0.42) RARBGPR3

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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