SCHEMBL8030648

SCHEMBL8030648

Cc1cc(C)cc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(C(C)C(=O)O)c3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
CASR P41180 1/20 0.36
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
PPIB P23284 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL8031923 0.95 MAPK1 (0.39) KMT2AMEN1CASRHTTMAPK1
SCHEMBL27488424 0.95 KMT2A (0.37) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8031931 0.94 POLQ (0.38) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8031895 0.92 KMT2A (0.36) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8020948 0.92 MLYCD (0.36) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8031928 0.92 ALDH1A1 (0.36) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8036625 0.92 CASR (0.44) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8031781 0.91 KMT2A (0.35) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8032123 0.91 KMT2A (0.37) KMT2AMEN1CASRHTTMAPK1
SCHEMBL8020637 0.91 KMT2A (0.36) KMT2AMEN1CASRHTTMAPK1

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