SCHEMBL8790519

SCHEMBL8790519

COc1ccc(CN(C)CCCOc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.48
▸ ABCB1 P08183 2/20 0.48
▸ KDR P35968 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ ACHE P22303 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HCRTR2 O43614 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ BCHE P06276 4/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL8790765 0.93 ABCG2 (0.56) ABCG2ABCB1KDRTP53ACHE
SCHEMBL8789467 0.92 ABCG2 (0.49) ABCG2ABCB1KDRTP53ACHE
SCHEMBL8790232 0.92 ABCG2 (0.54) ABCG2ABCB1TP53ACHEMAPT
SCHEMBL8790980 0.91 ABCG2 (0.46) ABCG2ABCB1ACHEOPRM1TMEM97
SCHEMBL8789279 0.91 ABCG2 (0.53) ABCG2ABCB1TP53ACHEMAPT
SCHEMBL8789595 0.91 ABCG2 (0.54) ABCG2ABCB1ACHEMAPTOPRM1
SCHEMBL8789907 0.90 ABCG2 (0.52) ABCG2ABCB1TP53ACHEMAPT
SCHEMBL8789201 0.90 ABCG2 (0.59) ABCG2ABCB1KDRTP53ACHE
SCHEMBL8789576 0.90 ABCG2 (0.56) ABCG2ABCB1KDRTP53ACHE
SCHEMBL8836378 0.90 ABCG2 (0.45) ABCG2ABCB1ACHEMAPTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 — — EP claimed
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 claimed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 — — EP claimed
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
Send feedback