SCHEMBL22215946

SCHEMBL22215946

COc1nc2c(oc3cc(CCOc4nc5c(c(-c6ccc(F)cc6)c4C#N)Cc4cccc(Cl)c4-5)ccc32)c(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 12/20 0.46
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CNR1 P21554 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL29442367 0.77 SQOR (0.74) SQORALDH1A1GAAMAPK1ADORA2A
SCHEMBL22208281 0.77 SQOR (0.74) SQORALDH1A1GAAMAPK1ADORA2A
SCHEMBL22208214 0.71 ADORA2A (0.59) SQORADORA2AMAPT
SCHEMBL29442335 0.71 ADORA2A (0.59) SQORADORA2AMAPT
SCHEMBL22215937 0.69 SQOR (0.73) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442372 0.68 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442282 0.64 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208387 0.64 SQOR (1.00) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL29442346 0.63 SQOR (0.83) SQORALDH1A1GAAMAPK1KDM4E
SCHEMBL22208330 0.62 SQOR (0.67) 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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