SCHEMBL7370866

SCHEMBL7370866

COc1ccc(CN)cc1OCC(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 6/20 0.58
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL7374468 0.90 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL7370428 0.88 ALDH1A1 (0.62) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7370205 0.84 CCR1 (0.56) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7369950 0.84 KDM4E (0.55) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL8545193 0.83 KDM4E (0.54) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7375943 0.83 KDM4E (0.52) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL5063868 0.80 CCR1 (0.56) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7366950 0.79 SMN1; SMN2 (0.55) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL7373261 0.79 ALDH1A1 (0.49) KDM4EALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7373089 0.78 CACNA1F (0.55) KDM4EALDH1A1CYP3A4CYP2C9MEN1

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 3 patents. 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
EP-0706517-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-04-17 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed