SCHEMBL22208248

SCHEMBL22208248

CCOc1nc2c(c(-c3ccc(OC)cc3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.80
▸ KDM4E B2RXH2 8/20 0.66
▸ ALDH1A1 P00352 8/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 6/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ HPGD P15428 4/20 0.44
▸ GLA P06280 2/20 0.44
▸ ATM Q13315 2/20 0.44

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
SCHEMBL29442267 1.00 SQOR (0.80) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442301 0.91 SQOR (0.85) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22215895 0.91 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442274 0.91 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442421 0.90 SQOR (0.83) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208387 0.89 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442305 0.89 SQOR (0.81) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442282 0.89 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208270 0.85 SQOR (0.73) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442378 0.85 SQOR (0.73) SQORKDM4EALDH1A1MAPK1GAA

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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