SCHEMBL8790741

SCHEMBL8790741

COc1ccc(CCN(C)C(=O)COc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
LTB4R Q15722 5/20 0.50
LTB4R2 Q9NPC1 5/20 0.50
AOC3 Q16853 2/20 0.50
ALOX5 P09917 2/20 0.48
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PPIB P23284 1/20 0.46
PTPN1 P18031 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8789786 0.87 CDK8 (0.56) LTB4RLTB4R2AOC3RAB9AALDH1A1
SCHEMBL8790187 0.86 LTB4R (0.59) LTB4RLTB4R2AOC3ALOX5PPIB
SCHEMBL8789904 0.86 MAPK1 (0.75) MAPK1NPSR1PPIBSMN1; SMN2NPC1
SCHEMBL8790474 0.84 ALOX5 (0.66) LTB4RLTB4R2AOC3ALOX5PPIB
SCHEMBL8790726 0.83 ALDH1A1 (0.63) MAPK1SMN1; SMN2KCNH2RAB9AALDH1A1
SCHEMBL16438642 0.79 MAPK1 (0.62) MAPK1HIF1ASMN1; SMN2NPC1RAB9A
SCHEMBL9023046 0.77 ALOX5 (0.55) LTB4RLTB4R2AOC3ALOX5SMN1; SMN2
SCHEMBL8789557 0.77 AOC3 (0.66) MAPK1AOC3KCNH2ALDH1A1
SCHEMBL8788832 0.76 MAPK1 (0.56) MAPK1NPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL8790580 0.76 ALDH1A1 (0.61) MAPK1ALOX5PPIBSMN1; SMN2NPC1

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-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-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed