SCHEMBL12345126

SCHEMBL12345126

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL12345111 0.89 RAB9A (0.33) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345046 0.88 RAB9A (0.36) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345092 0.88 RAB9A (0.36) RAB9ANPC1STAT3GAAMAPT
SCHEMBL14300552 0.88 L3MBTL1 (0.37) RAB9AGAAMAPTNPSR1KDM4E
SCHEMBL12345095 0.88 CTSK (0.35) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345119 0.88 RAB9A (0.33) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345114 0.87 STAT3 (0.32) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345089 0.85 STAT3 (0.33) RAB9ANPC1STAT3GAAMAPT
SCHEMBL14302918 0.84 ATM (0.48) RAB9AGAAMAPTNPSR1KDM4E
SCHEMBL13108623 0.84 AR (0.40) GAAALDH1A1LMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049104-B1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2012-09-19 — — EP disclosed
WO-2008021796-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
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