SCHEMBL8789875

SCHEMBL8789875

COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5n(C)c34)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PTK2B Q14289 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ ABCB1 P08183 3/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 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
SCHEMBL8789550 0.88 ABCB1 (0.46) SMPD1POLBKDM4ELMNAMAPT
SCHEMBL8789642 0.83 ABCB1 (0.46) SMPD1HTTPOLBKDM4ETP53
SCHEMBL8808718 0.83 MAPT (0.48) KDM4ETP53KDRMAPTKCNH2
SCHEMBL8807068 0.83 KCNH2 (0.44) KDM4ETP53KDRLMNAMAPT
SCHEMBL8789872 0.82 ABCG2 (0.57) KDM4ETP53KDRMAPTMAPK1
SCHEMBL8790216 0.80 ABCG2 (0.62) SMPD1KDM4ETP53KDRLMNA
SCHEMBL8808344 0.79 ACHE (0.49) KDM4ETP53KDRMAPTTSHR
SCHEMBL8808236 0.79 MAPT (0.45) SMPD1KDM4ETP53KDRLMNA
SCHEMBL8807986 0.78 KCNH2 (0.41) KDM4ETP53KDRLMNAMAPT
SCHEMBL8789767 0.76 ABCG2 (0.50) KDM4ETP53KDRLMNAMAPT

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
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