SCHEMBL11269491

SCHEMBL11269491

O=C1Oc2c(O)cc3ccccc3c2C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPM4 Q8TD43 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 4/20 0.36
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
LMNA P02545 1/20 0.35
NQO2 P16083 1/20 0.34
TYR P14679 1/20 0.34
DAO P14920 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL15998725 0.80 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL23900971 0.75 KDM4E (0.47) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL23900972 0.74 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL23587376 0.73 MEN1 (0.46) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL2612448 0.73 NPSR1 (0.57) GAANPSR1CFTRGOPCLMNA
SCHEMBL15688238 0.70 GAA (0.41) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL5681418 0.69 MAPK1 (0.37) KDM4EMAPTALDH1A1KMT2AMAPK1
SCHEMBL38656253 0.69 KDM4E (0.48) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL12231012 0.68 GAA (0.45) KDM4EMAPTALDH1A1MEN1POLB
SCHEMBL2187057 0.67 TRPM4 (0.56) KDM4EMAPTALDH1A1MEN1POLB

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
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 US disclosed
EP-0023080-A1 Substituted 2,7-dioxo-2,7-dihydrobenzo(1:2-b; 5,6-b1)difuran or dipyrrole dyestuffs, processes for their preparation and their use for the colouration of aromatic polyester textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed