SCHEMBL5778673

SCHEMBL5778673

Cc1cc(Cl)nc2cc(F)ccc12.Cc1cc(O)nc2cc(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 6/20 0.40
MPO P05164 1/20 0.40
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
GLA P06280 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL5437258 0.91 KDM4E (0.49) KDM4ECYP3A4CYP2C19HIF1APOLB
SCHEMBL5440887 0.91 MPO (0.46) KDM4EPOLBKMT2AMEN1MAPT
SCHEMBL5798135 0.79 KDM4E (0.49) KDM4ECYP2C19POLBKMT2AMEN1
SCHEMBL5434270 0.77 KDM4E (0.50) KDM4ECYP3A4CYP2C19HIF1APOLB
SCHEMBL2534941 0.77 KDM4E (0.62) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL3420261 0.73 POLB (0.52) KDM4ECYP3A4CYP2C19HIF1APOLB
SCHEMBL13802956 0.73 KDM4E (0.54) KDM4EPOLBKMT2AMAPTLMNA
SCHEMBL8936155 0.73 POLB (0.72) KDM4ECYP3A4CYP2C19HIF1APOLB
SCHEMBL23202854 0.73 ACHE (0.42) KDM4EKMT2AMEN1MAPTMPO
SCHEMBL14960133 0.73 POLB (0.61) KDM4ECYP3A4CYP2C19POLBKMT2A

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
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO disclosed