SCHEMBL7822229

SCHEMBL7822229

CN(C)C1=CC(=O)c2ncc(F)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
CES1 P23141 1/20 0.33
KMT2A Q03164 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CDC25C P30307 1/20 0.31

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
SCHEMBL7816397 0.88 MALT1 (0.37) MALT1CES1
SCHEMBL7807690 0.73 KMT2A (0.35) KMT2A
SCHEMBL7808369 0.72 KMT2A (0.40) KMT2ACDC25B
SCHEMBL7807992 0.65 KMT2A (0.54) KMT2ACDC25B
SCHEMBL9672080 0.65 KMT2A (0.39) KMT2A
SCHEMBL31290264 0.64 MALT1 (0.44) MALT1CES1KMT2ACDC25ACDC25B
SCHEMBL31290244 0.61 MALT1 (0.71) MALT1CES1KMT2ACDC25ACDC25B
SCHEMBL7651620 0.61 PADI1 (0.58) MALT1CES1KMT2ACDC25B
SCHEMBL31290250 0.60 MALT1 (0.53) MALT1CES1KMT2ACDC25ACDC25B
SCHEMBL8958289 0.59 MALT1 (0.50) MALT1CES1

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-0695752-B1 ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF UNIV MADRID COMPLUTENSE (ES) 2001-06-06 EP disclosed
US-5716963-A DIAZAQUINOMYCIN DERIVATIVE UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1998-02-10 US disclosed
EP-0695752-A1 NEW ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1996-02-07 EP disclosed