SCHEMBL28431636

SCHEMBL28431636

[N-]=[N+]=NC[C@H](Cc1ccccc1)OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRR Q9GZT4 2/20 0.42
▸ EPHX1 P07099 1/20 0.40
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ LAP3 P28838 4/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACP3 P15309 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL28431637 1.00 SRR (0.42) SRREPHX1ALPIPKMPTGS1
SCHEMBL28434896 0.79 CTSK (0.43) POLB
Hydrochloric Acid SCHEMBL19384700 0.79 SRR (0.49) SRREPHX1ALPIPKMPTGS1
SCHEMBL14668153 0.77 POLB (0.40) EPHX1LAP3POLB
SCHEMBL28432031 0.77 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL375856 0.77 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL29011372 0.77 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL29011373 0.77 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL28435578 0.77 SRR (0.47) SRREPHX1ALPIPKMPTGS1
SCHEMBL14658942 0.76 POLB (0.37) SRREPHX1CYP1A2POLBACP3

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-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 — — CN disclosed
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