SCHEMBL8545193

SCHEMBL8545193

COc1ccc(CN)cc1OCC(=O)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
F10 P00742 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ACHE P22303 1/20 0.49

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
SCHEMBL7369950 0.91 KDM4E (0.55) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL7370205 0.91 CCR1 (0.56) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL7370428 0.91 ALDH1A1 (0.62) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5063868 0.86 CCR1 (0.56) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL8545712 0.85 ALDH1A1 (0.50) TP53MAPK1ALDH1A1CYP3A4CYP2C9
SCHEMBL7366950 0.83 SMN1; SMN2 (0.55) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL7370866 0.83 KDM4E (0.58) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5061294 0.82 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5061292 0.82 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5064235 0.82 CCR1 (0.58) KDM4EKMT2AMEN1TP53MAPK1

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
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed