SCHEMBL8108546

SCHEMBL8108546

Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2c(O)c(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ GAA P10253 7/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ RECQL P46063 2/20 0.54
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MPI P34949 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PKLR P30613 1/20 0.43
▸ GALNT2 Q10471 1/20 0.43
▸ GALNT1 Q10472 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
SCHEMBL12940986 0.76 GAA (0.56) CA12CA9GAAKDM4ERECQL
SCHEMBL15285080 0.75 KDM4E (0.61) GAAKDM4ERECQLMAPTPOLB
SCHEMBL31414410 0.75 KDM4E (0.61) GAAKDM4ERECQLMAPTPOLB
SCHEMBL6613764 0.75 TERT (0.71) GAAKDM4ERECQLMAPTMAPK1
SCHEMBL8108312 0.74 ADORA2A (0.70) CA12CA9GAAKDM4ERECQL
SCHEMBL7115025 0.71 MAOB (0.48) CA12CA9KDM4EMAPTMCL1
SCHEMBL8570027 0.71 CA12 (0.43) CA12CA9GAAMAPTHTT
SCHEMBL28065504 0.70 ESR2 (0.56) GAAKDM4EMAPTPOLBPKM
SCHEMBL28065536 0.70 KDM4E (0.79) GAAKDM4EMAPTPOLBPKM
SCHEMBL28065533 0.70 KDM4E (0.56) GAAKDM4ERECQLMAPTPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645382-B1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 2000-07-12 — — EP disclosed
US-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 — — US disclosed
EP-0645382-A1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-29 — — EP disclosed
Send feedback