SCHEMBL8789901

SCHEMBL8789901

CCOc1cc(C=CC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
KMT2A Q03164 4/20 0.60
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.57
TOP2A P11388 2/20 0.54
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
AKR1C3 P42330 1/20 0.52
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SNCA P37840 2/20 0.48
CA2 P00918 2/20 0.48
CA5A P35218 2/20 0.48

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
SCHEMBL8789897 1.00 KDM4E (0.60) KDM4EKMT2AGAALMNAPOLB
SCHEMBL6026164 0.85 KDM4E (0.66) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL14931845 0.85 KDM4E (0.66) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL6026160 0.85 KDM4E (0.66) KDM4EGAALMNASMN1; SMN2ALDH1A1
SCHEMBL9380841 0.84 KDM4E (0.63) KDM4ELMNAALDH1A1AKR1C3HPGD
SCHEMBL9380836 0.84 KDM4E (0.63) KDM4ELMNAALDH1A1AKR1C3HPGD
SCHEMBL16955158 0.82 MAPT (0.53) KMT2AGAALMNAPOLBTOP2A
SCHEMBL4623922 0.82 KDM4E (0.84) KDM4EKMT2AGAALMNAPOLB
SCHEMBL30739528 0.82 KDM4E (0.84) KDM4EKMT2AGAALMNAPOLB
SCHEMBL7247313 0.82 KDM4E (0.84) KDM4EKMT2AGAALMNAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed