SCHEMBL8124654

SCHEMBL8124654

Cc1ccc(N2N=C3c4ccncc4CCC3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CACNA1B Q00975 2/20 0.33
ACHE P22303 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL8149239 0.92 GAA (0.35) APPGAAMAPTL3MBTL1KDM4E
SCHEMBL8124757 0.90 ALDH1A1 (0.39) GAAMAPTL3MBTL1KDM4ENPC1
SCHEMBL8121408 0.87 TRPM8 (0.38) PTGS2CACNA1BCYP3A4
SCHEMBL8123913 0.82 KDM4E (0.44) GAAMAPTL3MBTL1KDM4ENPC1
SCHEMBL10365809 0.82 ACHE (0.38) GAAMAPTL3MBTL1KDM4ENPC1
Bromide SCHEMBL8164605 0.81 ITGB3 (0.33)
SCHEMBL9865424 0.81 MIF (0.40) GAAALDH1A1GLA
SCHEMBL10368105 0.81 MAPT (0.41) GAAMAPTL3MBTL1KDM4ENPC1
SCHEMBL8124342 0.81 ALDH1A1 (0.39) GAAMAPTL3MBTL1KDM4ENPC1
SCHEMBL9866597 0.81 PBRM1 (0.37) GAAMAPTL3MBTL1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP claimed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO claimed
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP disclosed
US-5935956-A Pyridazine compounds ASTRA PHARMACEUTICALS LTD. (GB) 1999-08-10 US disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO disclosed