SCHEMBL11010002

SCHEMBL11010002

COc1cc(-c2ccc(Cl)nn2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDGFRB P09619 3/20 0.44
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 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
SCHEMBL1744281 0.83 MEN1 (0.53) BRD4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL3239896 0.81 MAOB (0.37) BRD4KDM4EHPGDPTGS1PTGS2
SCHEMBL13511832 0.77 MAPT (0.49) BRD4ALDH1A1KDM4EL3MBTL1PTGS2
SCHEMBL11624499 0.76 MAPT (0.51) BRD4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL1742298 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDL3MBTL1PTGS1
SCHEMBL9186261 0.75 PDE4B (0.43) BRD4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL9183215 0.75 SMN1; SMN2 (0.43) BRD4ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL9183532 0.75 SMN1; SMN2 (0.48) ALDH1A1KDM4EL3MBTL1MEN1MAPK1
SCHEMBL9180769 0.75 SMN1; SMN2 (0.48) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL5206468 0.75 PDGFRB (0.49) BRD4ALDH1A1KDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4515791-A Substituted phenyl-1,2,4-triazolo[2,3-b]pyridazin-3(2H)ones as anti-asthma agents AMERICAN CYANAMID COMPANY (US) 1985-05-07 US disclosed