SCHEMBL7762910

SCHEMBL7762910

O=C(NO)c1cccc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TAS2R8 Q9NYW2 1/20 0.42
▸ MT-CO2 P00403 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ TLK2 Q86UE8 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL30843218 0.85 MT-CO2 (0.46) GAASMN1; SMN2KDM4CTAS2R8MT-CO2
SCHEMBL13485798 0.83 HDAC8 (0.45) MMP3HDAC8KDM4EGAASMN1; SMN2
SCHEMBL6206600 0.82 ABCG2 (0.44) HDAC8KDM4EGAAKDM4CMT-CO2
SCHEMBL9695921 0.81 NPC1 (0.55) KDM4ESMN1; SMN2TAS2R8ALDH1A1LMNA
SCHEMBL29442138 0.80 KDM4C (0.52) KDM4EKDM4CALDH1A1LMNAHPGD
SCHEMBL340702 0.80 KDM4C (0.52) KDM4EKDM4CALDH1A1LMNAHPGD
SCHEMBL21065235 0.79 ABCG2 (0.39) KDM4EKDM4CTAS2R8MT-CO2ALDH1A1
SCHEMBL23079145 0.79 GSK3B (0.42) HDAC8KDM4EGAAKDM4CMT-CO2
Hydrochloric Acid SCHEMBL9236405 0.79 KDM4C (0.51) KDM4EKDM4CALDH1A1LMNAHPGD
SCHEMBL341608 0.79 GSK3B (0.42) HDAC8KDM4EGAAKDM4CTAS2R8

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
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 — — WO disclosed
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