SCHEMBL8020628

SCHEMBL8020628

COc1cccc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(CC(=O)O)c3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.41
HIF1A Q16665 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGER3 P43115 1/20 0.39
PPARD Q03181 1/20 0.39
CASR P41180 1/20 0.39
PSMB5 P28074 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL9131882 0.94 KMT2A (0.47) KMT2APKMHTTUSP2NPC1
SCHEMBL8031875 0.93 MAPK1 (0.40) KMT2AHTTMEN1PPARDLMNA
SCHEMBL8020965 0.92 KMT2A (0.48) KMT2APKMHTTUSP2NPC1
SCHEMBL8020648 0.92 KDM4E (0.38) KMT2AHTTNPC1MEN1ALDH1A1
SCHEMBL8029961 0.92 KMT2A (0.38) KMT2APKMHTTUSP2NPC1
SCHEMBL8031868 0.91 PPIB (0.38) KMT2AHTTNPC1MEN1PPARD
SCHEMBL8020901 0.91 SMN1; SMN2 (0.37) KMT2AHTTNPC1MEN1KDM4E
SCHEMBL8033859 0.91 SMN1; SMN2 (0.44) KMT2APKMHTTNPC1MEN1
SCHEMBL8030246 0.91 KMT2A (0.42) KMT2APKMHTTUSP2NPC1
SCHEMBL8020574 0.91 PTGDR2 (0.38) KMT2AHTTNPC1MEN1SMN1; SMN2

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed