SCHEMBL16404454

SCHEMBL16404454

COc1ccc(Nc2nc(-c3ccc(-c4nc(Nc5ccc(OC)cc5)c5ccccc5n4)s3)nc3ccccc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.76
MEN1 O00255 8/20 0.76
MAPT P10636 3/20 0.76
HTT P42858 3/20 0.76
KDM4E B2RXH2 2/20 0.76
ALDH1A1 P00352 2/20 0.76
LMNA P02545 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
GBA1 P04062 1/20 0.76
ABCG2 Q9UNQ0 7/20 0.74
ABCC1 P33527 3/20 0.68
ATM Q13315 1/20 0.67
ABCB1 P08183 3/20 0.65
NPY5R Q15761 1/20 0.64
KDM1A O60341 2/20 0.64
NPC1 O15118 2/20 0.61
PTGS2 P35354 1/20 0.59
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL16404331 0.91 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL9937522 0.86 MEN1 (1.00) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL16404494 0.85 ABCG2 (0.95) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL1064726 0.85 ABCG2 (1.00) KMT2AMEN1MAPTLMNAABCG2
SCHEMBL16404472 0.84 ABCG2 (0.87) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL1083764 0.81 ABCG2 (1.00) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL16404453 0.81 MEN1 (0.73) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL14262975 0.80 MEN1 (0.74) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL1083776 0.80 MEN1 (1.00) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL9937654 0.80 ABCG2 (0.77) KMT2AMEN1MAPTHTTKDM4E

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-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed