SCHEMBL28404931

SCHEMBL28404931

O=C(O)c1ccc(C=Cc2ccc([N+](=O)[O-])cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ SRD5A2 P31213 2/20 0.51
▸ P4HTM Q9NXG6 3/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CES1 P23141 2/20 0.44
▸ P4HA1 P13674 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 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
SCHEMBL28404929 1.00 SLC2A1 (0.56) SLC2A1TDP1SRD5A2P4HTMMEN1
SCHEMBL20337186 0.81 SLC2A1 (0.59) SLC2A1TDP1MEN1KMT2ACYP1A2
SCHEMBL14988861 0.78 MAPT (0.56) SLC2A1MEN1KMT2ACYP1B1PIM1
SCHEMBL14988862 0.78 MAPT (0.56) SLC2A1MEN1KMT2ACYP1B1PIM1
SCHEMBL9000418 0.77 SLC2A1 (0.58) SLC2A1MEN1KMT2ACYP1A2GAA
SCHEMBL28404135 0.76 POLB (0.52) SLC2A1MEN1KMT2ANPC1ALDH1A1
SCHEMBL2947694 0.75 TDP1 (0.61) TDP1SRD5A2P4HTMMEN1KMT2A
SCHEMBL20464764 0.75 SLC2A1 (0.56) SLC2A1MEN1KMT2APIM1NPC1
SCHEMBL9000735 0.75 P4HA1 (0.52) P4HTMMEN1KMT2AP4HA1CYP1A2
SCHEMBL286351 0.74 SLC2A1 (0.64) SLC2A1MEN1KMT2ACYP1A2GAA

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-105524053-B Tetrahydrobenzothiophene compounds 广东东阳光药业有限公司 2020-06-05 — — CN disclosed
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