SCHEMBL7375943

SCHEMBL7375943

COc1ccc(CNC(=O)OCc2ccccc2)cc1OCC(=O)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
CACNA1F O60840 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL7373471 0.92 ALDH1A1 (0.55) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7377490 0.92 CACNA1F (0.50) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7370262 0.88 KMT2A (0.51) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7367419 0.85 KMT2A (0.54) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL8541313 0.85 CYP3A4 (0.46) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7370866 0.83 KDM4E (0.58) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7370820 0.83 CACNA1F (0.55) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7377172 0.81 CACNA1F (0.54) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7372045 0.80 ALDH1A1 (0.54) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL7372518 0.79 ALDH1A1 (0.53) KDM4EALDH1A1LMNATSHRMEN1

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