SCHEMBL20176734

SCHEMBL20176734

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5F)s4)c4nc5c(nc34)CCCC5)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.37
▸ RARA P10276 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ EIF4A1 P60842 1/20 0.32
▸ GCGR P47871 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ PTPN1 P18031 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
SCHEMBL20176733 0.89 KDM4E (0.39) RARBRARAKDM4ERAB9AEIF4A1
SCHEMBL20176718 0.85 GCGR (0.36) RARBGCGR
SCHEMBL18217302 0.84 KDM4E (0.30) KDM4E
SCHEMBL20176722 0.84 RARB (0.34) RARBGCGR
SCHEMBL20176732 0.82 — —
SCHEMBL20176729 0.81 RARB (0.35) RARBRARARARGKDM4ERAB9A
SCHEMBL17694344 0.80 RARB (0.38) RARBRARARARGKDM4ERAB9A
SCHEMBL17694364 0.80 RARB (0.36) RARBRARARARGKDM4ERAB9A
SCHEMBL17694315 0.80 RARB (0.40) RARBRARARARGKDM4ERAB9A
SCHEMBL17694323 0.80 RARB (0.40) RARBRARARARGKDM4ERAB9A

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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