SCHEMBL22212876

SCHEMBL22212876

COCCN(CCOC)c1ccc(N)c(NC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC3 O15379 3/20 0.46
TSHR P16473 1/20 0.38
PTGER4 P35408 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36

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
SCHEMBL19980985 0.90 HDAC1 (0.38) HDAC1HDAC2HDAC3TSHRPTGER4
SCHEMBL24006345 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC3MTNR1AMTNR1B
SCHEMBL8943196 0.85 HDAC1 (0.49) HDAC1HDAC2HDAC3TSHRCA1
SCHEMBL19980976 0.84 HDAC1 (0.41) HDAC1HDAC2HDAC3TSHRCA1
SCHEMBL19980897 0.83 HDAC1 (0.40) HDAC1HDAC2HDAC3TSHRCA1
SCHEMBL22474129 0.82 HDAC1 (0.47) HDAC1HDAC2HDAC3TSHR
SCHEMBL8379952 0.82 HDAC1 (0.47) HDAC1HDAC2HDAC3
SCHEMBL19980980 0.81 S100B (0.37) HDAC1HDAC2TSHRPTGER4
SCHEMBL6075087 0.81 S100B (0.51) HDAC1HDAC2HDAC3TSHR
SCHEMBL22476585 0.81 HDAC1 (0.41) HDAC1HDAC2HDAC3

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-3692102-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2021-11-10 EP disclosed
EP-3715423-A1 HIGH WET FAST DISPERSE DYE MIXTURES OF N-[4-(5-FLUORO-2,4-DINITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES AND N-[4-(4-NITRO-PHENYLAZO)-PHENYL]-AMINE DERIVATIVES DyStar Colours Distribution GmbH (DE) 2020-09-30 EP disclosed
EP-3461861-B1 HIGH WET FAST DISPERSE DYE MIXTURES DYSTAR COLOURS DISTRIB GMBH (DE) 2020-07-15 EP disclosed