SCHEMBL16569200

SCHEMBL16569200

CC(C)c1cc(-c2nnc(O)n2-c2ccc(CN3CCC(C(=O)N4CCC(C(=O)O)CC4)CC3)cc2)c(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSP90AA1 P07900 10/20 0.41
▸ HSP90AB1 P08238 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL16569651 0.95 HSP90AA1 (0.44) MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL24321350 0.93 MEN1 (0.47) KDM4EALDH1A1TDP1MEN1TSHR
SCHEMBL18561685 0.93 HSP90AA1 (0.40) KDM4EALDH1A1TDP1MEN1TSHR
SCHEMBL24321184 0.92 HSP90AA1 (0.46) KDM4EALDH1A1TDP1MEN1TSHR
SCHEMBL16569876 0.92 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AHSP90AA1L3MBTL1
SCHEMBL24321134 0.92 HSP90AA1 (0.47) KDM4EALDH1A1TDP1MEN1TSHR
SCHEMBL24321700 0.91 HSP90AA1 (0.44) KDM4EALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL17293918 0.89 L3MBTL1 (0.40) KDM4EALDH1A1TDP1MEN1TSHR
SCHEMBL22541300 0.89 HSP90AA1 (0.40) KDM4EALDH1A1TDP1HSP90AA1HSP90AB1
SCHEMBL16713228 0.88 HSP90AA1 (0.44) KDM4EALDH1A1TDP1HSP90AA1HSP90AB1

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
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 — — EP disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 — — WO disclosed
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