SCHEMBL9175293

SCHEMBL9175293

COc1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3cccnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
ABCG2 Q9UNQ0 4/20 0.48
ADORA3 P0DMS8 1/20 0.44
KAT2B Q92831 1/20 0.43
DGAT2 Q96PD7 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
LMNA P02545 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
SCHEMBL7367535 0.90 PDE4A (0.53) ALDH1A1ADORA3KAT2BPDE4APDE4B
SCHEMBL9165034 0.88 NPSR1 (0.46) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9170938 0.86 NPSR1 (0.45) KDM4EALDH1A1HPGDKAT2BDGAT2
SCHEMBL9169841 0.84 PDE4A (0.58) KDM4EALDH1A1KAT2BDGAT2PDE4A
SCHEMBL9172942 0.84 NPSR1 (0.45) KDM4EALDH1A1HPGDKAT2BPDE4A
SCHEMBL9168148 0.83 NPSR1 (0.43) KDM4EALDH1A1ABCG2KAT2BPDE4A
SCHEMBL9165637 0.83 NPSR1 (0.56) KDM4EALDH1A1HPGDKAT2BPDE4A
SCHEMBL9171183 0.83 NPSR1 (0.58) KDM4EALDH1A1ABCG2KAT2BPDE4A
SCHEMBL9167134 0.82 ALOX5 (0.49) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL9165629 0.82 NPSR1 (0.62) KDM4EALDH1A1ABCG2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP claimed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed