SCHEMBL9168570

SCHEMBL9168570

O=c1c2cccnc2c(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.56
GAA P10253 2/20 0.56
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.49
ALOX5 P09917 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
PDE4A P27815 3/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
BCAT1 P54687 1/20 0.46
ENPP1 P22413 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PSMB5 P28074 1/20 0.45
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL9165637 0.91 NPSR1 (0.56) NPSR1GAAALDH1A1LMNAALOX5
SCHEMBL7366959 0.91 L3MBTL1 (0.58) NPSR1GAAALDH1A1LMNAALOX5
SCHEMBL7367332 0.88 HTT (0.53) NPSR1GAAALDH1A1LMNAALOX5
SCHEMBL7359405 0.87 PDE4A (0.61) NPSR1GAAALDH1A1LMNAKDM4E
SCHEMBL7361949 0.87 PDE4A (0.53) NPSR1GAAALDH1A1ALOX5KDM4E
SCHEMBL7363973 0.87 NPSR1 (0.50) NPSR1GAAALDH1A1LMNAALOX5
SCHEMBL7361460 0.86 NPSR1 (0.49) NPSR1GAAALDH1A1LMNAALOX5
SCHEMBL16535885 0.86 ALDH1A1 (0.48) NPSR1GAAALDH1A1LMNAPDE4A
SCHEMBL9171807 0.84 NPSR1 (0.75) NPSR1GAAALDH1A1LMNAKDM4E
SCHEMBL7366676 0.84 NCOA1 (0.48) NPSR1GAAALDH1A1LMNAALOX5

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-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP claimed
JP-5279363-A None JP disclosed
US-5405826-A Herbicidal pyridopyridazinones and pyridopyridazinethiones RHONE POULENC AGRICULTURE LIMITED (GB) 1995-04-11 US disclosed
JP-H05279363-A NEW HERBICIDE RHONE POULENC AGRICULTURE LTD 1993-10-26 JP disclosed
EP-0555957-A1 Pyrido 2,3-d pyridazine derivatives as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-08-18 EP disclosed