SCHEMBL8809375

SCHEMBL8809375

COc1ccc(C(C)NCCCSc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL8808377 0.90 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8809649 0.89 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8809583 0.88 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8808107 0.87 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8810137 0.87 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8807960 0.87 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8809365 0.82 F10 (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8807360 0.81 ABCB1 (0.39) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8807291 0.81 ABCG2 (0.42) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8809362 0.81 SMN1; SMN2 (0.43) MAPTMEN1KMT2ASMN1; SMN2NPC1

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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