SCHEMBL17293918

SCHEMBL17293918

CC(C)c1cc(-c2nnc(O)n2-c2ccc(CN3CCN(C(=O)C4CCN(C(=O)CCC(=O)O)CC4)CC3)cc2)c(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRD4 O60885 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSP90AA1 P07900 7/20 0.39
▸ ADRB2 P07550 1/20 0.37
▸ HSP90AB1 P08238 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
SCHEMBL15525674 0.93 HSP90AA1 (0.42) BRD4ALDH1A1TSHRSMN1; SMN2HSP90AA1
SCHEMBL17293963 0.91 HSP90AA1 (0.42) BRD4SMN1; SMN2KDM4EHSP90AA1HSP90AB1
SCHEMBL16569200 0.89 KDM4E (0.42) L3MBTL1ALDH1A1MEN1KMT2AALOX15
SCHEMBL24321134 0.87 HSP90AA1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AALOX15
SCHEMBL24321350 0.87 MEN1 (0.47) L3MBTL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL18561685 0.87 HSP90AA1 (0.40) L3MBTL1BRD4ALDH1A1MEN1KMT2A
SCHEMBL24321184 0.86 HSP90AA1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ATSHR
SCHEMBL15525661 0.86 HSP90AA1 (0.41) BRD4ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL24321700 0.85 HSP90AA1 (0.44) ALDH1A1KDM4ETDP1HSP90AA1HSP90AB1
SCHEMBL16569876 0.85 ALDH1A1 (0.44) L3MBTL1BRD4ALDH1A1KMT2ATSHR

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
WO-2015184246-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-12-03 — — WO disclosed
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