SCHEMBL16404355

SCHEMBL16404355

COc1ccc(Nc2nc(-c3ccc(-c4nc(Nc5ccc(CO)cc5)c5ccccc5n4)cc3)nc3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.78
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
ABCC1 P33527 3/20 0.71
KDM1A O60341 1/20 0.71
ABCB1 P08183 2/20 0.67
ATM Q13315 1/20 0.64
SYK P43405 1/20 0.62
PDE5A O76074 2/20 0.60
PDE4B Q07343 1/20 0.60
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
GBA1 P04062 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.58
NPY5R Q15761 1/20 0.58

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
SCHEMBL16404339 0.94 ABCG2 (0.72) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404332 0.94 ABCG2 (0.69) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404494 0.91 ABCG2 (0.95) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404331 0.88 MEN1 (0.65) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL1064726 0.88 ABCG2 (1.00) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404319 0.87 ABCG2 (0.65) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404344 0.85 POLB (0.70) ABCG2MEN1KMT2ASYKPDE5A
SCHEMBL16404346 0.85 NPY5R (0.59) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404481 0.85 ABCG2 (0.80) ABCG2MEN1KMT2AABCC1KDM1A
SCHEMBL16404310 0.85 NPY5R (0.73) ABCG2MEN1KMT2AABCC1ATM

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