SCHEMBL8807334

SCHEMBL8807334

COc1ccc(N(C)CCCc2ccc(NC(=O)c3[nH]c4ccccc4c3C(=O)c3ccccc3)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SLC34A2 O95436 3/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL8807326 0.89 BCHE (0.47) MAPTMEN1KMT2AROCK2CYP3A4
SCHEMBL8806850 0.78 MEN1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8808218 0.75 ABCG2 (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8806416 0.74 TP53 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8807862 0.73 ABCG2 (0.43) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8808186 0.73 CYP3A4 (0.64) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8807455 0.72 MEN1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8808932 0.72 MEN1 (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8809638 0.71 F10 (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8809319 0.71 MEN1 (0.61) MAPTNPC1RAB9AMEN1KMT2A

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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