SCHEMBL18217182

SCHEMBL18217182

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BDKRB2 P30411 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL20176719 0.91 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1LMNAPOLBHTT
SCHEMBL20176716 0.91 SMN1; SMN2 (0.32) SMN1; SMN2BDKRB2ALDH1A1LMNAPOLB
SCHEMBL20182413 0.86 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL20176730 0.85 KDM4E (0.31) —
SCHEMBL18217186 0.84 CRHR1 (0.30) —
SCHEMBL18217189 0.84 BDKRB2 (0.33) SMN1; SMN2BDKRB2
SCHEMBL21019972 0.84 SMN1; SMN2 (0.32) SMN1; SMN2BDKRB2ALDH1A1LMNAPOLB
SCHEMBL20176724 0.82 KDM4E (0.40) SMN1; SMN2ALDH1A1LMNA
SCHEMBL18418550 0.82 BDKRB2 (0.38) SMN1; SMN2BDKRB2ALDH1A1LMNAPOLB
SCHEMBL20176731 0.82 GLA (0.31) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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
WO-2016177449-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-11-10 — — WO disclosed
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