SCHEMBL9183215

SCHEMBL9183215

COc1cc(-c2ccc(Cl)nn2)ccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
PDE4B Q07343 4/20 0.43
HPGD P15428 4/20 0.43
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9186261 0.94 PDE4B (0.43) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL1744281 0.88 MEN1 (0.53) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9183598 0.87 PDE4D (0.57) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9186960 0.86 PDE4D (0.44) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9271648 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9185708 0.82 XDH (0.53) SMN1; SMN2PDE4BPDE4APDE4CPDE4D
SCHEMBL9188551 0.82 PDE4D (0.57) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9187036 0.80 GAK (0.44) SMN1; SMN2PDE4BHPGDPDE4APDE4C
SCHEMBL9183532 0.80 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1LMNATP53
SCHEMBL9186302 0.80 XDH (0.47) SMN1; SMN2PDE4BPDE4APDE4CPDE4D

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
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