SCHEMBL16404302

SCHEMBL16404302

COc1ccc(Nc2nc(-c3ccccc3NC(C)=O)nc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.69
KMT2A Q03164 9/20 0.69
ATM Q13315 1/20 0.69
NPC1 O15118 1/20 0.64
ABCG2 Q9UNQ0 6/20 0.63
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ABCC1 P33527 3/20 0.58
TP53 P04637 2/20 0.57
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
ABCB1 P08183 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GBA1 P04062 1/20 0.56
KDM1A O60341 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPY5R Q15761 1/20 0.55
RXFP1 Q9HBX9 2/20 0.54
PDE5A O76074 1/20 0.54

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
SCHEMBL16404307 0.90 MEN1 (0.67) MEN1KMT2AATMNPC1ABCG2
SCHEMBL16404303 0.83 MEN1 (0.66) MEN1KMT2AATMNPC1ABCG2
SCHEMBL1083776 0.82 MEN1 (1.00) MEN1KMT2AATMNPC1ABCG2
SCHEMBL14262975 0.80 MEN1 (0.74) MEN1KMT2AATMNPC1ABCG2
SCHEMBL16404317 0.79 MEN1 (0.84) MEN1KMT2AATMNPC1ABCG2
SCHEMBL16404481 0.78 ABCG2 (0.80) MEN1KMT2AATMABCG2MAPT
SCHEMBL16404494 0.78 ABCG2 (0.95) MEN1KMT2AATMABCG2MAPT
SCHEMBL1064726 0.78 ABCG2 (1.00) MEN1KMT2AATMABCG2MAPT
SCHEMBL16404472 0.77 ABCG2 (0.87) MEN1KMT2AATMABCG2MAPT
SCHEMBL9937654 0.75 ABCG2 (0.77) MEN1KMT2AATMNPC1ABCG2

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