SCHEMBL22208217

SCHEMBL22208217

COc1nc2c(c(-c3ccc(SC)cc3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 6/20 0.81
▸ ALDH1A1 P00352 7/20 0.61
▸ GAA P10253 4/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ KDM4E B2RXH2 8/20 0.51
▸ HPGD P15428 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ USP2 O75604 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL29442362 1.00 SQOR (0.81) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442270 0.90 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215766 0.90 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442301 0.89 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442349 0.89 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215890 0.89 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442372 0.88 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442346 0.88 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208381 0.85 SQOR (0.78) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442285 0.85 SQOR (0.78) SQORALDH1A1GAAMAPK1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO claimed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
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