SCHEMBL8790508

SCHEMBL8790508

O=C(O)c1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.67
CASP6 P55212 1/20 0.67
CTDSP1 Q9GZU7 1/20 0.67
PBRM1 Q86U86 2/20 0.58
FBP1 P09467 7/20 0.54
PARP1 P09874 1/20 0.52
TSHR P16473 1/20 0.51
APEX1 P27695 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PIM1 P11309 1/20 0.43
GFER P55789 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL28074417 0.83 DNA2 (0.57) DNA2CASP6CTDSP1PBRM1FBP1
SCHEMBL4334739 0.80 DNA2 (1.00) DNA2CASP6CTDSP1FBP1PARP1
SCHEMBL10526280 0.78 PBRM1 (0.63) DNA2CASP6CTDSP1PBRM1PARP1
SCHEMBL31738496 0.77 PBRM1 (0.67) DNA2CASP6CTDSP1PBRM1PARP1
SCHEMBL4939517 0.76 PBRM1 (0.65) PBRM1TSHRMAPTTDP1KDM4E
SCHEMBL7568778 0.76 PBRM1 (0.65) DNA2CASP6CTDSP1PBRM1PARP1
SCHEMBL7571596 0.76 PBRM1 (0.65) DNA2CASP6CTDSP1PBRM1PARP1
SCHEMBL2450782 0.76 PBRM1 (0.65) DNA2CASP6CTDSP1PBRM1PARP1
SCHEMBL7491879 0.76 PARP1 (0.62) DNA2CASP6CTDSP1PBRM1FBP1
SCHEMBL1277854 0.76 DNA2 (0.83) DNA2CASP6CTDSP1FBP1PARP1

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