SCHEMBL9257719

SCHEMBL9257719

COc1ccc(-c2ccc(N)nn2)cc1OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.53
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
TRPC6 Q9Y210 1/20 0.44
DHODH Q02127 2/20 0.44
FPR2 P25090 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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 0.95 XDH (0.59) XDHALDH1A1GAATRPC6DHODH
SCHEMBL9271100 0.88 ALDH1A1 (0.48) XDHALDH1A1GAADHODHMAPT
SCHEMBL9268068 0.86 ALDH1A1 (0.43) XDHALDH1A1GAATRPC6DHODH
SCHEMBL1752782 0.84 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2APDE4A
SCHEMBL9186302 0.84 XDH (0.47) XDHALDH1A1GAADHODHFPR2
SCHEMBL9325535 0.83 FPR2 (0.47) ALDH1A1TRPC6FPR2MAPTMEN1
SCHEMBL9267049 0.82 PDE4A (0.43) ALDH1A1FPR2MAPTMEN1KMT2A
SCHEMBL9271648 0.80 SMN1; SMN2 (0.43) XDHALDH1A1TRPC6MAPTMEN1
SCHEMBL9547659 0.79 XDH (0.53) XDHALDH1A1GAADHODHMAPT
SCHEMBL9185708 0.79 XDH (0.53) XDHALDH1A1GAADHODHMAPT

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
US-5449676-A Bronchodilator agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-09-12 US disclosed
EP-0510562-A1 Pyridazines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-10-28 EP disclosed