SCHEMBL9547659

SCHEMBL9547659

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.53
DHODH Q02127 2/20 0.49
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
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 2/20 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
KDM4E B2RXH2 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
SCHEMBL9263478 0.84 XDH (0.59) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9185708 0.84 XDH (0.53) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9186302 0.79 XDH (0.47) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9257719 0.79 XDH (0.53) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9181362 0.78 XDH (0.47) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL10761773 0.74 XDH (0.54) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL8996776 0.74 PDE4A (0.73) XDHDHODHMAPTMEN1KMT2A
SCHEMBL9181329 0.73 XDH (0.43) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9271100 0.73 ALDH1A1 (0.48) XDHDHODHALDH1A1MAPTMEN1
SCHEMBL9182543 0.73 DHODH (0.43) XDHDHODHALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236918-A Bronchial disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-08-17 US disclosed
EP-0469013-A1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1992-02-05 EP 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