SCHEMBL22208381

SCHEMBL22208381

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 9/20 0.78
▸ ALDH1A1 P00352 5/20 0.59
▸ GAA P10253 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ KDM4E B2RXH2 5/20 0.52
▸ LMNA P02545 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ATM Q13315 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ S1PR4 O95977 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX12 P18054 1/20 0.39
▸ EGFR P00533 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
SCHEMBL29442285 1.00 SQOR (0.78) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442372 0.88 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442270 0.88 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215766 0.88 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22215890 0.87 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442301 0.87 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442349 0.87 SQOR (0.85) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442346 0.86 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208217 0.85 SQOR (0.81) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442362 0.85 SQOR (0.81) 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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