SCHEMBL11069630

SCHEMBL11069630

O=[N+]([O-])c1ccc(Cl)c(Cl)c1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 1/20 0.57
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
PIN1 Q13526 2/20 0.49
MAPK8 P45983 1/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46
VCAM1 P19320 2/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR6 P50406 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40

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 0.87 TDP1 (0.71) TDP1MEN1TTRALBTHRB
SCHEMBL11048022 0.84 TDP1 (0.51) TDP1MEN1TTRALBTHRB
SCHEMBL11076466 0.84 TDP1 (0.51) TDP1MEN1TTRALBTHRB
SCHEMBL2326248 0.83 MAPT (0.64) TDP1MEN1TTRALBTHRB
SCHEMBL11076939 0.82 MEN1 (0.56) TDP1MEN1TTRALBTHRB
SCHEMBL11649655 0.80 HSPB1 (0.50) TDP1MEN1TTRALBTHRB
SCHEMBL11042108 0.80 TDP1 (0.51) TDP1MEN1TTRALBTHRB
SCHEMBL7406297 0.78 MAPT (0.59) TDP1MEN1TTRALBTHRB
SCHEMBL11432939 0.78 RHEB (0.53) TDP1MEN1KMT2AMAPTPOLB
SCHEMBL11734899 0.78 MEN1 (0.48) TDP1MEN1TTRALBTHRB

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