SCHEMBL8790055

SCHEMBL8790055

O=C(O)c1cccc2[nH]c3c(F)cccc3c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.63
PARP1 P09874 1/20 0.55
ALB P02768 1/20 0.46
FEN1 P39748 2/20 0.42
DHODH Q02127 4/20 0.41
NQO1 P15559 1/20 0.40
AURKA O14965 1/20 0.40
ALOX5 P09917 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AURKB Q96GD4 1/20 0.40
AURKC Q9UQB9 1/20 0.40
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
DYRK1A Q13627 1/20 0.40
RAB9A P51151 1/20 0.39
MPL P40238 1/20 0.39
PARP14 Q460N5 1/20 0.39

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
SCHEMBL7568778 0.82 PBRM1 (0.65) PBRM1PARP1ALBFEN1DHODH
SCHEMBL10526864 0.80 PBRM1 (0.67) PBRM1PARP1NQO1MPLKDM4E
SCHEMBL8790155 0.80 KDM4E (0.60) PBRM1PARP1DHODHDYRK1AKDM4E
SCHEMBL24743540 0.77 PBRM1 (1.00) PBRM1PARP1FEN1CDK5DYRK1A
SCHEMBL7570648 0.77 PBRM1 (0.71) PBRM1PARP1KDM4EALDH1A1HPGD
SCHEMBL2445963 0.77 PBRM1 (0.71) PBRM1PARP1NQO1GSK3BDYRK1A
SCHEMBL27416310 0.76 KDM4E (0.57) PBRM1PARP1FEN1DHODHKDM4E
SCHEMBL5458223 0.75 POLB (0.64) PBRM1FEN1AURKAALOX5GSK3A
SCHEMBL8519668 0.74 PBRM1 (0.62) PBRM1PARP1NQO1CDK5CDK5R1
SCHEMBL4943278 0.74 PBRM1 (1.00) PBRM1PARP1DYRK1AMPLKDM4E

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