SCHEMBL11069815

SCHEMBL11069815

N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(Oc3ccccc3)c2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
THRB P10828 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MERTK Q12866 2/20 0.57
MAPT P10636 4/20 0.42
VCAM1 P19320 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE7A Q13946 1/20 0.40
PIN1 Q13526 1/20 0.39
POLB P06746 1/20 0.38
HPSE Q9Y251 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK8 P45983 1/20 0.37
HTR6 P50406 1/20 0.37
SLC6A4 P31645 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL10883530 0.88 TDP1 (0.71) MEN1KMT2ATTRALBTHRB
SCHEMBL8968903 0.78 MERTK (0.59) MEN1KMT2ATTRALBTHRB
SCHEMBL11076939 0.78 MEN1 (0.56) MEN1KMT2ATTRALBTHRB
SCHEMBL1340217 0.77 MERTK (0.62) MEN1KMT2ATDP1MERTKMAPT
SCHEMBL11069630 0.77 TDP1 (0.57) MEN1KMT2ATTRALBTHRB
SCHEMBL21681375 0.77 MEN1 (0.75) MEN1KMT2ATTRALBTHRB
SCHEMBL30623820 0.77 MEN1 (0.75) MEN1KMT2ATTRALBTHRB
SCHEMBL2969404 0.76 MERTK (0.71) MEN1KMT2ATDP1MERTKMAPT
SCHEMBL1299420 0.75 MERTK (0.60) MEN1KMT2ATTRALBTHRB
SCHEMBL2645096 0.73 KMT2A (0.51) MEN1KMT2ATTRALBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4485239-A ANTIARRHYTHMIC AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR (SU) 1984-11-27 US disclosed
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