SCHEMBL11067702

SCHEMBL11067702

O=[N+]([O-])c1ccc(Oc2ccccc2)cc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.57
F10 P00742 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
TTR P02766 1/20 0.55
ALB P02768 1/20 0.55
THRB P10828 1/20 0.55
HPSE Q9Y251 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TLR4 O00206 3/20 0.46
TLR2 O60603 3/20 0.46
MAPT P10636 2/20 0.45
HSPB1 P04792 1/20 0.45
MERTK Q12866 1/20 0.44
PDE7A Q13946 1/20 0.44
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL14375448 0.92 MEN1 (0.57) HTR6F10MEN1KMT2ATDP1
SCHEMBL1963579 0.89 HTR6 (0.56) HTR6F10MEN1KMT2ATDP1
SCHEMBL16792372 0.89 ALDH1A1 (0.57) HTR6F10MEN1KMT2ATDP1
SCHEMBL10337453 0.87 HTR6 (0.52) HTR6F10MEN1KMT2ATDP1
SCHEMBL10717379 0.86 ALDH1A1 (0.55) HTR6MEN1KMT2ATDP1TTR
SCHEMBL11315551 0.85 MEN1 (0.58) HTR6F10MEN1KMT2ATDP1
SCHEMBL1298266 0.85 MERTK (0.52) HTR6F10MEN1KMT2ATDP1
SCHEMBL10424095 0.84 MEN1 (0.55) HTR6F10MEN1KMT2ATDP1
SCHEMBL646471 0.84 MEN1 (0.54) F10MEN1KMT2ATDP1TTR
SCHEMBL30061165 0.84 MEN1 (0.54) F10MEN1KMT2ATDP1TTR

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