SCHEMBL8790187

SCHEMBL8790187

COc1ccc(CCN(C)C(=O)Cc2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.59
LTB4R2 Q9NPC1 10/20 0.59
ALOX5 P09917 2/20 0.58
SIGMAR1 Q99720 1/20 0.57
AOC3 Q16853 2/20 0.53
PPIB P23284 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8790474 0.86 ALOX5 (0.66) LTB4RLTB4R2ALOX5AOC3PPIB
SCHEMBL8790741 0.86 MAPK1 (0.56) LTB4RLTB4R2ALOX5AOC3PPIB
SCHEMBL8790404 0.83 CDK8 (0.60) LTB4RLTB4R2AOC3ALDH1A1HTT
SCHEMBL8835994 0.82 SIGMAR1 (0.57) LTB4RLTB4R2ALOX5SIGMAR1ALDH1A1
SCHEMBL17011382 0.80 SIGMAR1 (0.46) LTB4RLTB4R2SIGMAR1ALDH1A1GAA
SCHEMBL9023046 0.80 ALOX5 (0.55) LTB4RLTB4R2ALOX5SIGMAR1AOC3
SCHEMBL8789557 0.79 AOC3 (0.66) SIGMAR1AOC3ALDH1A1
SCHEMBL8790580 0.78 ALDH1A1 (0.61) ALOX5PPIBALDH1A1HTTSMN1; SMN2
SCHEMBL4497778 0.77 PHLPP2 (0.45) LTB4RLTB4R2SIGMAR1ALDH1A1GAA
SCHEMBL14412444 0.77 AOC3 (0.59) ALOX5AOC3ALDH1A1GAAHTT

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