SCHEMBL7807690

SCHEMBL7807690

CN(C)c1cnc2c(c1)C(=O)c1cc(F)cnc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33
PTK2B Q14289 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SNCA P37840 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAOB P27338 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
SCHEMBL7808369 0.84 KMT2A (0.40) KMT2AALDH1A1MEN1RAB9AMAOB
SCHEMBL7816397 0.73 MALT1 (0.37)
SCHEMBL7822229 0.73 MALT1 (0.37) KMT2A
SCHEMBL7807992 0.73 KMT2A (0.54) KMT2AALDH1A1MEN1RAB9AMAOB
SCHEMBL9672080 0.69 KMT2A (0.39) KMT2AALDH1A1MEN1RAB9AKDM4E
SCHEMBL7816393 0.67 ALDH1A1 (0.31) KMT2AALDH1A1MEN1RAB9APTK2B
SCHEMBL7815625 0.63 TNKS2 (0.32) KMT2A
SCHEMBL17039295 0.63 ALDH1A1 (0.48) KMT2AALDH1A1MEN1RAB9ASNCA
SCHEMBL30635316 0.61 S100A4 (0.53) IDO1TDO2
SCHEMBL32687870 0.59 KCNH2 (0.41) KMT2AALDH1A1MEN1RAB9AKDM4E

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