SCHEMBL8789767

SCHEMBL8789767

COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cc(SC)cc4c(=O)c5ccccc5[nH]c34)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ MAPT P10636 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38

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
SCHEMBL8789470 0.94 ABCG2 (0.47) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789476 0.89 ABCG2 (0.55) ABCG2MAPTKDM4ELMNAL3MBTL1
SCHEMBL8790880 0.88 ABCG2 (0.52) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8790216 0.87 ABCG2 (0.62) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789764 0.85 ABCG2 (0.41) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789958 0.83 ABCG2 (0.48) ABCG2MAPTTP53LMNAABCB1
SCHEMBL8788702 0.83 ABCG2 (0.59) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789562 0.83 ABCG2 (0.69) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789872 0.82 ABCG2 (0.57) ABCG2MAPTCYP3A4CYP2C19KDM4E
SCHEMBL8789120 0.81 ABCG2 (0.63) ABCG2MAPTKDM4ETP53MEN1

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 8 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-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
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