SCHEMBL9271648

SCHEMBL9271648

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 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
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 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
SCHEMBL9267049 0.94 PDE4A (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL1752782 0.88 ALDH1A1 (0.50) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9264413 0.87 SMN1; SMN2 (0.57) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9271875 0.86 PDE4D (0.44) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9183215 0.83 SMN1; SMN2 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9263478 0.82 XDH (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL9257719 0.80 XDH (0.53) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9268561 0.78 TRPC6 (0.46) SMN1; SMN2LMNATP53KDM4EALDH1A1
SCHEMBL9181892 0.78 MAPT (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9186261 0.77 PDE4B (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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-5449676-A Bronchodilator agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-09-12 US disclosed
EP-0581805-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-02-09 EP disclosed
WO-1992019602-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-11-12 WO disclosed
EP-0510562-A1 Pyridazines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-10-28 EP disclosed