SCHEMBL14300552

SCHEMBL14300552

CNC[C@H](CC(=O)OC)Nc1ccc(N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ F2 P00734 1/20 0.32

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
SCHEMBL12345126 0.88 RAB9A (0.34) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL27756872 0.82 RORC (0.40) GAAKDM4EMAPTALDH1A1CYP3A4
SCHEMBL13108619 0.82 RORC (0.40) GAAKDM4EMAPTALDH1A1CYP3A4
SCHEMBL12345111 0.77 RAB9A (0.33) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345095 0.76 CTSK (0.35) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345119 0.76 RAB9A (0.33) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345046 0.76 RAB9A (0.36) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345092 0.76 RAB9A (0.36) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345114 0.75 STAT3 (0.32) GAAKDM4EMAPTNPSR1MAPK1
SCHEMBL12345089 0.74 STAT3 (0.33) L3MBTL1GAAKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021796-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
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