SCHEMBL22215890

SCHEMBL22215890

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 6/20 0.85
▸ ALDH1A1 P00352 6/20 0.63
▸ GAA P10253 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ KDM4E B2RXH2 7/20 0.53
▸ HPGD P15428 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ATM Q13315 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ S1PR4 O95977 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41

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
SCHEMBL29442349 1.00 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215766 0.92 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442270 0.92 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442301 0.91 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442346 0.90 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442372 0.90 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208217 0.89 SQOR (0.81) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442362 0.89 SQOR (0.81) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442421 0.88 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208381 0.87 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 1 patent. 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 disclosed
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