SCHEMBL22215616

SCHEMBL22215616

CCOc1nc2c(c(-c3ccc(N4CCCCC4)cc3)c1C#N)Cc1ccccc1-2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.73
▸ KDM4E B2RXH2 7/20 0.61
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CCNA2 P20248 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ GLA P06280 2/20 0.40
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL29442260 1.00 SQOR (0.73) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442310 0.92 SQOR (0.72) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22215861 0.92 SQOR (0.72) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22215895 0.86 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442274 0.86 SQOR (0.84) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442421 0.85 SQOR (0.83) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442282 0.84 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208387 0.84 SQOR (1.00) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL29442305 0.84 SQOR (0.81) SQORKDM4EALDH1A1MAPK1GAA
SCHEMBL22208248 0.84 SQOR (0.80) 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 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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