SCHEMBL28772866

SCHEMBL28772866

CCC(=O)OOc1ccc(Cl)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCL1 Q07820 1/20 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
SCHEMBL28001907 0.88 KDM4E (0.37) KDM4ECA12CA1CA2CA7
SCHEMBL27722737 0.81 ESR1 (0.37) ESR1HIF1ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28254578 0.79 ACHE (0.41) KDM4ENPC1RAB9AESR1HIF1A
SCHEMBL7745278 0.78 CA12 (0.40) KDM4ECA12CA1CA2CA7
SCHEMBL28772952 0.77 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL27754997 0.76 CYP1A2 (0.44) KDM4EESR1HIF1ASMN1; SMN2LMNA
SCHEMBL28758016 0.75 BCL9 (0.48) KDM4ECA12CA1CA2CA7
SCHEMBL16566851 0.74 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2LMNA
SCHEMBL28001905 0.73 GAA (0.53) KDM4ESMN1; SMN2LMNATP53ALDH1A1
SCHEMBL534024 0.72 PTGS2 (0.52) KDM4ENPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 — — CN disclosed
CN-101316591-B Quinoline compound and pharmaceutical application thereof ARGENTA ORAL THERAPEUTICS LTD. (GB) 2012-02-01 — — CN disclosed
CN-101715441-A Quinoline derivatives as CRTH2 receptor ligands ARGENTA DISCOVERY LTD 2010-05-26 — — CN disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 — — CN disclosed
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 — — CN disclosed
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