SCHEMBL10714947

SCHEMBL10714947

O=C(O)c1nn(-c2ccc(F)cc2)c(Cc2ccccc2)c(C(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
RIPK1 Q13546 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 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
SCHEMBL10712738 0.91 POLB (0.46) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL9788299 0.79 MAPK14 (0.46) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10357494 0.79 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1NPSR1MAPK1
SCHEMBL10357498 0.77 POLB (0.50) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10357432 0.76 CCNE2 (0.42) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL10357404 0.74 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10713454 0.73 LMNA (0.41) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10357760 0.72 POLB (0.49) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL10357410 0.71 POLB (0.41) ALDH1A1POLBMAPK1
Potassium Ion SCHEMBL10922245 0.70 CYP2C9 (0.39) KMT2AMEN1ALDH1A1NPSR1LMNA

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
US-4707181-A 1-aryl-1,4-dihydro-4-oxo-3,5-dicarboxypyridazine derivatives and their use as plant growth regulators and hybridizing agents ROHM AND HAAS COMPANY (US) 1987-11-17 US disclosed