SCHEMBL9185708

SCHEMBL9185708

COc1cc(-c2ccc(Cl)nn2)ccc1OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.53
DHODH Q02127 2/20 0.49
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL9186302 0.95 XDH (0.47) XDHDHODHALDH1A1MEN1KMT2A
SCHEMBL9182543 0.88 DHODH (0.43) XDHDHODHALDH1A1MEN1KMT2A
SCHEMBL9187036 0.87 GAK (0.44) XDHDHODHALDH1A1MEN1KMT2A
SCHEMBL9183532 0.85 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL1744281 0.84 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9263478 0.84 XDH (0.59) XDHDHODHALDH1A1MEN1KMT2A
SCHEMBL9547659 0.84 XDH (0.53) XDHDHODHALDH1A1MEN1KMT2A
SCHEMBL9180522 0.84 PDE4D (0.41) XDHDHODHALDH1A1GAASMN1; SMN2
SCHEMBL9179120 0.83 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL9183215 0.82 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPTL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469013-B1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1995-06-28 EP disclosed
US-5236918-A Bronchial disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-08-17 US disclosed
WO-1990012789-A1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1990-11-01 WO disclosed
EP-0393500-A1 Arylpyridazines, their preparation, their use and pharmaceuticals containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-24 EP disclosed
US-4707481-A Pyridazinones, their preparation and use, and bronchospasmolytic medicaments containing pyridazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed
EP-0125636-B1 PYRIDAZINONES, THEIR PREPARATION AND USE, MEDICINES CONTAINING THESE PYRIDAZINONES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-04-01 EP disclosed
WO-1984004521-A1 PYRIDAZINONES, THEIR PREPARATION AND USE, AND MEDICAMENTS CONTAINING PYRIDAZINONES BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-22 WO disclosed
EP-0125636-A1 Pyridazinones, their preparation and use, medicines containing these pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-21 EP disclosed