SCHEMBL27903490

SCHEMBL27903490

O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2ccc(O)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 1.00
▸ CA9 Q16790 11/20 1.00
▸ LMNA P02545 4/20 1.00
▸ HSD17B3 P37058 3/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ MAOB P27338 2/20 0.66
▸ ALDH2 P05091 1/20 0.66
▸ MAOA P21397 1/20 0.66
▸ SORD Q00796 1/20 0.66
▸ NOD2 Q9HC29 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP2C9 P11712 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL27442679 0.85 CA12 (0.82) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL26111845 0.82 CA12 (0.70) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL21648248 0.80 CA12 (0.74) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL21648241 0.80 CA12 (1.00) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL21648244 0.80 CA12 (0.74) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL21648245 0.80 CA12 (1.00) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL29570235 0.80 CA12 (0.74) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL3782904 0.80 LMNA (0.67) CA12CA9LMNAAKR1B1MAOB
SCHEMBL29736952 0.80 CA9 (1.00) CA12CA9LMNAHSD17B3AKR1B1
SCHEMBL2987658 0.80 CA9 (1.00) CA12CA9LMNAHSD17B3AKR1B1

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
CN-102846598-A Application of coumarin in preparing formation inhibitors of advanced glycation end products (AGEs) GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD 2013-01-02 — — CN claimed
CN-102846598-A Application of coumarin in preparing formation inhibitors of advanced glycation end products (AGEs) GUANGZHOU KANGCHENG PHARMACEUTICAL RES CO LTD 2013-01-02 — — CN disclosed
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