SCHEMBL3986261

SCHEMBL3986261

COc1ccc(F)c(C#N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 9/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 5/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKCZ Q05513 1/20 0.41
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IMPDH2 P12268 1/20 0.37

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
SCHEMBL14783801 0.85 KDM4E (0.44) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL3649084 0.81 MAPT (0.40) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL31432707 0.79 LMNA (0.39) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL27901280 0.78 KDM4E (0.44) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL31432595 0.78 EPAS1 (0.40) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL19877832 0.78 KDM4E (0.44) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL4404567 0.78 NPC1 (0.42) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL1462237 0.78 TRPV4 (0.39) KDM4EALDH1A1HPGDADORA1ADORA2A
SCHEMBL15846053 0.77 KDM4E (0.47) KDM4EALDH1A1USP2HPGDHIF1A
SCHEMBL186647 0.77 MAPT (0.43) KDM4EALDH1A1USP2HPGDHIF1A

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed