SCHEMBL16136273

SCHEMBL16136273

CCN(C(=O)c1nn(C)c(=O)c2c1c1ccccc1n2C)c1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 8/20 0.54
TP53 P04637 5/20 0.50
POLB P06746 4/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL16136261 0.90 KDM4E (0.67) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136219 0.90 KDM4E (0.57) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136221 0.81 KDM4E (0.55) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16311057 0.81 KDM4E (0.77) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136100 0.80 KDM4E (0.67) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136184 0.80 KDM4E (0.67) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136243 0.79 MAPT (0.54) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16111116 0.78 KDM4E (0.61) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136192 0.77 KDM4E (0.63) KDM4EGAAALDH1A1SMN1; SMN2MAPT
SCHEMBL16136046 0.77 KDM4E (0.74) KDM4EGAAALDH1A1SMN1; SMN2MAPT

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
WO-2014160440-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 WO disclosed