SCHEMBL11074643

SCHEMBL11074643

C=CCNc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HCAR3 P49019 1/20 0.50
SIRT5 Q9NXA8 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.42
FFAR1 O14842 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL6400130 0.83 MAPT (0.50) MAPTKMT2AL3MBTL1HCAR3SIRT5
SCHEMBL7129606 0.83 MAPT (0.56) MAPTKMT2AMEN1L3MBTL1HCAR3
SCHEMBL11225980 0.81 HCAR3 (0.49) MAPTKMT2AMEN1L3MBTL1HCAR3
SCHEMBL9725552 0.80 ALDH1A1 (0.52) MAPTKMT2AMEN1SIRT5RAB9A
SCHEMBL8463547 0.78 TDP1 (0.50) MAPTKMT2AMEN1L3MBTL1SIRT5
SCHEMBL1344661 0.77 HCAR3 (0.58) MAPTKMT2AMEN1L3MBTL1HCAR3
SCHEMBL566190 0.77 GAA (0.48) KMT2AMEN1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL12210038 0.77 MAPT (0.53) MAPTKMT2AL3MBTL1SIRT5RAB9A
SCHEMBL5405448 0.75 MAPT (0.60) MAPTKMT2AMEN1L3MBTL1HCAR3
SCHEMBL22191673 0.75 MAPT (0.60) MAPTKMT2AMEN1L3MBTL1HCAR3

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-0027555-B1 PROCESS FOR THE PREPARATION OF DIPHENYL ETHERS CELAMERCK GmbH & Co. KG (DE) 1984-01-04 EP disclosed
US-4364875-A AMINATION, ISOMER-FREE END-PRODUCTS CELAMERCK GMBH & CO. KG (DE) 1982-12-21 US disclosed
EP-0027555-A1 Process for the preparation of diphenyl ethers CELAMERCK GmbH & Co. KG (DE) 1981-04-29 EP disclosed