SCHEMBL16899348

SCHEMBL16899348

COC(=O)c1cc(Br)cc(NC(=S)C(C)(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 2/20 0.39
▸ NOTUM Q6P988 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ GLA P06280 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL16899462 0.86 KDM4E (0.54) KDM4EALDH1A1GAANOTUMPKM
SCHEMBL16899368 0.84 ALDH1A1 (0.41) KDM4EALDH1A1GAANOTUMPKM
SCHEMBL16899426 0.84 ALDH1A1 (0.37) KDM4EALDH1A1GAANOTUMPKM
SCHEMBL16899382 0.81 ALDH1A1 (0.45) KDM4EALDH1A1GAAPKMABCG2
SCHEMBL16899332 0.81 KDM4E (0.39) KDM4EALDH1A1GAAPKMABCG2
SCHEMBL29090388 0.81 ATR (0.43) KDM4EALDH1A1GAANOTUMPKM
SCHEMBL16899359 0.80 HTT (0.41) KDM4EALDH1A1GAAGPR35KMT2A
SCHEMBL16899338 0.77 KDM4E (0.54) KDM4EALDH1A1GAAPKMABCG2
SCHEMBL16899328 0.76 OPRK1 (0.41) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL31158029 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTMAPK1TSHR

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-2015104677-A1 HETEROCYCLIC COMPOUNDS AS EZH2 INHIBITORS Piramal Enterprises Limited (IN) 2015-07-16 — — WO disclosed
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