SCHEMBL20176731

SCHEMBL20176731

CCCCCC(CC)Cc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CC(CC)CCCCC)cc5)s4)c4nc(-c5cccs5)c(-c5cccs5)nc34)s2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ ALOX15B O15296 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ LTA4H P09960 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
SCHEMBL18217198 0.89 ALOX15B (0.32) GLATSHRHTTL3MBTL1CYP17A1
SCHEMBL18217194 0.86 — —
SCHEMBL20176736 0.86 ALOX15B (0.38) CYP17A1CYP11B1CYP11B2ALOX15BALOX12
SCHEMBL20176730 0.83 KDM4E (0.31) —
SCHEMBL18217189 0.83 BDKRB2 (0.33) —
SCHEMBL20176716 0.83 SMN1; SMN2 (0.32) HTTL3MBTL1
SCHEMBL18217182 0.82 SMN1; SMN2 (0.32) HTTL3MBTL1
SCHEMBL20182413 0.79 SMN1; SMN2 (0.30) —
SCHEMBL18217176 0.78 — —
SCHEMBL21019972 0.77 SMN1; SMN2 (0.32) HTTL3MBTL1

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 3 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
US-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
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