SCHEMBL16404331

SCHEMBL16404331

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
GBA1 P04062 1/20 0.65
ABCG2 Q9UNQ0 7/20 0.63
ATM Q13315 1/20 0.60
ABCC1 P33527 3/20 0.58
ABCB1 P08183 3/20 0.56
NPC1 O15118 1/20 0.56
KDM1A O60341 1/20 0.55
NPY5R Q15761 1/20 0.55
TP53 P04637 1/20 0.52
PTGS2 P35354 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL16404454 0.91 KMT2A (0.76) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16404355 0.88 ABCG2 (0.78) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16404339 0.87 ABCG2 (0.72) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16404332 0.82 ABCG2 (0.69) MEN1KMT2AMAPTABCG2ATM
SCHEMBL16404310 0.82 NPY5R (0.73) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16404346 0.82 NPY5R (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9937522 0.79 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16404348 0.79 PDE5A (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16404319 0.78 ABCG2 (0.65) MEN1KMT2AMAPTABCG2ATM
SCHEMBL16404494 0.78 ABCG2 (0.95) MEN1KMT2AMAPTKDM4EALDH1A1

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