SCHEMBL8806058

SCHEMBL8806058

COc1ccc(CCN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5cc(F)ccc5sc34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMPD1 P17405 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL8806985 0.94 ABCB1 (0.42) ABCB1ABCG2MAPK1TP53RXFP1
SCHEMBL8807343 0.92 ABCB1 (0.42) ABCB1ABCG2MAPK1KDM4EALDH1A1
SCHEMBL8806933 0.92 KDM4E (0.42) ABCB1ABCG2LMNAMAPK1KDM4E
SCHEMBL8807986 0.90 KCNH2 (0.41) ABCB1ABCG2LMNAMAPK1KDM4E
SCHEMBL8806990 0.90 ABCG2 (0.39) ABCB1ABCG2LMNAMAPK1KDM4E
SCHEMBL8807015 0.90 ABCG2 (0.44) ABCB1ABCG2LMNASMPD1KDM4E
SCHEMBL8807354 0.88 ABCG2 (0.40) ABCB1ABCG2LMNAMAPK1KDM4E
SCHEMBL8808386 0.88 MAPT (0.45) ABCB1ABCG2LMNASMPD1KDM4E
SCHEMBL8806941 0.87 ABCG2 (0.40) ABCB1ABCG2LMNAMAPK1KDM4E
SCHEMBL8809566 0.86 BCHE (0.43) ABCB1ABCG2LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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