SCHEMBL24257768

SCHEMBL24257768

Cc1cccc(-c2cnc(C#N)c(OCc3ccccc3)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPT P10636 3/20 0.38
MAOB P27338 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL30452737 0.89 GRM5 (0.42) SQORADORA1ADORA2AGABRG2GABRB3
SCHEMBL24257769 0.89 C5AR1 (0.41) SQORADORA1ADORA2AGABRG2GABRB3
SCHEMBL30546869 0.89 C5AR1 (0.41) SQORADORA1ADORA2AGABRG2GABRB3
SCHEMBL24257771 0.89 GRM5 (0.42) SQORADORA1ADORA2AGABRG2GABRB3
SCHEMBL24257562 0.88 MAOB (0.47) SQORADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL30546831 0.88 MAOB (0.47) SQORADORA1ADORA2ACYP1A2CYP3A4
SCHEMBL24257522 0.88 SQOR (0.40) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL30546879 0.85 HSD17B10 (0.43) SQORADORA1ADORA2AKDM4EMAPT
SCHEMBL24257819 0.85 HSD17B10 (0.43) SQORADORA1ADORA2AKDM4EMAPT
SCHEMBL24257578 0.84 CYP11B1 (0.47) SQORKDM4ECYP1A2CYP3A4CYP2D6

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-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed