SCHEMBL28106267

SCHEMBL28106267

O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1.c1c[nH]nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SRD5A2 P31213 2/20 0.54
▸ CES1 P23141 2/20 0.54
▸ CES2 O00748 1/20 0.54
▸ ALOX5 P09917 1/20 0.53
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FNTA P49354 1/20 0.43

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
Nitrobenzene SCHEMBL1628920 0.85 ALDH1A1 (0.57) POLBMAPK1L3MBTL1CES1CES2
Benzophenone SCHEMBL27762502 0.85 ALDH1A1 (0.54) L3MBTL1SRD5A2LMNAGAATDP1
SCHEMBL27814440 0.83 NPC1 (0.47) POLBL3MBTL1CES1LMNAMEN1
SCHEMBL19715611 0.82 GAA (0.47) L3MBTL1SRD5A2GAATDP1MEN1
Pyrazole SCHEMBL28149855 0.82 MAPK1 (0.59) POLBMAPK1L3MBTL1SRD5A2CES1
SCHEMBL229627 0.82 POLB (0.82) POLBMAPK1L3MBTL1SRD5A2CES1
Benzophenone SCHEMBL28231509 0.82 POLB (0.82) POLBMAPK1L3MBTL1SRD5A2CES1
Hydrogen Sulfide SCHEMBL28154722 0.80 POLB (0.79) POLBMAPK1L3MBTL1SRD5A2CES1
Methane SCHEMBL29286698 0.80 POLB (0.79) POLBMAPK1L3MBTL1SRD5A2CES1
Water SCHEMBL28104393 0.80 POLB (0.79) POLBMAPK1L3MBTL1SRD5A2CES1

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-106414410-A Molecules having certain pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2017-02-15 — — CN disclosed
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