SCHEMBL9170643

SCHEMBL9170643

N#Cc1cccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3cccnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.47
PDE4D Q08499 7/20 0.43
PDE4A P27815 5/20 0.43
PDE4C Q08493 4/20 0.43
TRPV1 Q8NER1 3/20 0.43
TRPA1 O75762 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.39
MAT2A P31153 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL9165448 0.89 ALDH1A1 (0.57) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9170308 0.89 DGAT2 (0.43) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9169955 0.88 NPSR1 (0.65) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9167158 0.87 PDE4D (0.48) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9168944 0.86 ALDH1A1 (0.45) NPSR1ALDH1A1LMNAKDM4ETRPV1
SCHEMBL9563052 0.82 NPSR1 (0.50) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9171431 0.82 NPSR1 (0.50) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9165629 0.82 NPSR1 (0.62) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9171807 0.81 NPSR1 (0.75) NPSR1ALDH1A1LMNAKDM4EPDE4D
SCHEMBL9172634 0.81 NPSR1 (0.61) NPSR1ALDH1A1LMNAKDM4EPDE4D

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