SCHEMBL16601814

SCHEMBL16601814

O=COc1cccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cccc(C(=O)O)c2)C6=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 4/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 2/20 0.48
TYMS P04818 1/20 0.48
RECQL P46063 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CASP6 P55212 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 1/20 0.46
S100B P04271 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL14164183 0.95 KMT2A (0.58) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL16602052 0.88 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL16691819 0.86 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL18198714 0.85 NPC1 (0.66) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL14172750 0.83 KMT2A (0.72) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL18201564 0.82 NPC1 (0.69) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL18198712 0.81 POLB (0.52) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL20172744 0.80 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL14409061 0.79 KDM4E (0.52) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL14510327 0.76 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4EPOLB

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
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed