SCHEMBL8789985

SCHEMBL8789985

COc1cc(CCCN(C)Cc2ccc(OC)c(OC)c2)ccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.51
▸ ABCB1 P08183 2/20 0.44
▸ OPRM1 P35372 3/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MC4R P32245 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GUSB P08236 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL8789137 0.96 ABCG2 (0.52) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8789684 0.95 ABCG2 (0.49) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790178 0.93 ABCG2 (0.53) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8791638 0.92 ABCG2 (0.51) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8789019 0.91 ABCG2 (0.52) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790232 0.91 ABCG2 (0.54) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790784 0.91 ABCG2 (0.52) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790980 0.91 ABCG2 (0.46) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8792324 0.91 ABCG2 (0.50) ABCG2ABCB1OPRM1TMEM97SIGMAR1
SCHEMBL8790958 0.91 ABCG2 (0.53) ABCG2ABCB1OPRM1TMEM97SIGMAR1

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
Send feedback