SCHEMBL8030646

SCHEMBL8030646

Cc1cccc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(CC(=O)O)c3)c2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PDE5A O76074 1/20 0.34
MAPK1 P28482 2/20 0.34
PPIB P23284 1/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HPSE Q9Y251 1/20 0.34
MLYCD O95822 1/20 0.34
GAA P10253 1/20 0.34
NTSR1 P30989 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BDKRB2 P30411 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
SCHEMBL8020736 0.95 ITGB1 (0.36) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8031924 0.94 KMT2A (0.35) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8020901 0.93 SMN1; SMN2 (0.37) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL27523450 0.92 KMT2A (0.34) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8020758 0.91 KMT2A (0.37) KMT2AMEN1SMN1; SMN2PDE5AMAPK1
SCHEMBL8030291 0.90 KMT2A (0.39) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8029961 0.90 KMT2A (0.38) KMT2AMEN1SMN1; SMN2MAPK1HTT
SCHEMBL8020589 0.90 SMN1; SMN2 (0.35) KMT2AMEN1ITGB1ITGA4SMN1; SMN2
SCHEMBL8031875 0.89 MAPK1 (0.40) KMT2AMEN1SMN1; SMN2PDE5AMAPK1
SCHEMBL8031868 0.89 PPIB (0.38) KMT2AMEN1SMN1; SMN2PDE5AMAPK1

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