SCHEMBL8790989

SCHEMBL8790989

COc1cc(OCCCNCCc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.54
▸ MAPT P10636 2/20 0.43
▸ ADRB2 P07550 2/20 0.43
▸ ABCB1 P08183 2/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 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
SCHEMBL8836382 0.94 ABCG2 (0.52) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8790185 0.94 ABCG2 (0.52) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8789993 0.92 ABCG2 (0.57) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8789159 0.92 ABCG2 (0.60) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8790540 0.91 ABCG2 (0.55) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8790801 0.88 ABCG2 (0.60) ABCG2ADRB2ABCB1ADRB1ADRB3
SCHEMBL8789699 0.87 ABCG2 (0.55) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8792332 0.87 ABCG2 (0.58) ABCG2MAPTADRB2ABCB1ADRB1
SCHEMBL8790980 0.87 ABCG2 (0.46) ABCG2ABCB1
SCHEMBL8790484 0.85 ABCG2 (0.57) ABCG2MAPTADRB2ABCB1ADRB1

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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