SCHEMBL2515290

SCHEMBL2515290

CCc1cc(-c2[nH]c(S)nc2-c2ccc(OC)c(N(CC)C(C)C)c2)c(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ GAA P10253 4/20 0.40
▸ ALOX12 P18054 3/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MAPT P10636 5/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSP90AA1 P07900 6/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15913096 0.88 MEN1 (0.43) MEN1KMT2AGAAALOX12ALOX15
SCHEMBL1148744 0.82 MEN1 (0.42) MEN1KMT2AGAAALOX12ALOX15
SCHEMBL1148575 0.77 MEN1 (0.41) MEN1KMT2AGAAALOX12ALOX15
SCHEMBL2517410 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1IDO1NOX1
SCHEMBL14609912 0.75 KMT2A (0.35) MEN1KMT2AGAAALOX12MAPT
SCHEMBL1147836 0.72 MEN1 (0.42) MEN1KMT2AGAAALOX12ALOX15
SCHEMBL1148583 0.72 MAPT (0.35) MEN1KMT2AGAAALOX12MAPT
SCHEMBL1147973 0.71 HSP90AA1 (0.36) MEN1KMT2AGAAALOX12ALOX15
SCHEMBL14609862 0.70 KMT2A (0.35) MEN1KMT2AGAAALOX12MAPT
SCHEMBL1147887 0.70 MEN1 (0.44) MEN1KMT2AGAAALOX12ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 — — US disclosed
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