SCHEMBL28319646

SCHEMBL28319646

O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1.c1ccc(-c2ccncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ SRD5A2 P31213 2/20 0.51
▸ CES2 O00748 1/20 0.51
▸ CES1 P23141 1/20 0.51
▸ ALOX5 P09917 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44

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
Pyrimidine SCHEMBL28161287 0.83 L3MBTL1 (0.70) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL8558988 0.81 MEN1 (0.53) POLBL3MBTL1GAALMNAMEN1
Pyridine SCHEMBL27374629 0.80 L3MBTL1 (0.75) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL28847269 0.80 POLB (0.83) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL14988297 0.80 POLB (0.63) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL229627 0.80 POLB (0.82) POLBMAPK1L3MBTL1SRD5A2CES2
Benzophenone SCHEMBL28231509 0.80 POLB (0.82) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL16690235 0.78 POLB (0.93) POLBMAPK1L3MBTL1SRD5A2CES2
SCHEMBL9805952 0.78 POLB (1.00) POLBMAPK1L3MBTL1SRD5A2CES2
Methane SCHEMBL29286698 0.78 POLB (0.79) POLBMAPK1L3MBTL1SRD5A2CES2

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
CN-106496127-B A kind of preparation method of polysubstituted pyrimidine 苏州大学 2019-09-27 — — CN disclosed
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