SCHEMBL7375596

SCHEMBL7375596

COc1ccc(CNC(=O)OCc2ccccc2)cc1OCC(O)CN1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NOD2 Q9HC29 1/20 0.45
ABCB1 P08183 4/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 5/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
FAAH O00519 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL7375594 0.86 KMT2A (0.44) ALDH1A1MEN1KMT2ANOD2DRD2
SCHEMBL7372404 0.85 ALDH1A1 (0.55) ALDH1A1HTTKMT2AABCB1LMNA
SCHEMBL7411521 0.85 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2AABCB1
SCHEMBL8488927 0.78 FAAH (0.39) ALDH1A1HTTMEN1KMT2ADRD2
SCHEMBL7374208 0.75 MEN1 (0.47) ALDH1A1MEN1KMT2ANOD2LMNA
SCHEMBL7372045 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8488928 0.74 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2AABCB1
SCHEMBL7372518 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL7373471 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL7374972 0.72 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2ALMNA

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-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed
WO-1995001343-A1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-01-12 WO disclosed