SCHEMBL12345111

SCHEMBL12345111

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CTSK P43235 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL12345114 0.92 STAT3 (0.32) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345119 0.90 RAB9A (0.33) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345126 0.89 RAB9A (0.34) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345095 0.88 CTSK (0.35) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345089 0.88 STAT3 (0.33) RAB9ANPC1STAT3GAAMAPT
SCHEMBL14302918 0.87 ATM (0.48) RAB9AGAAMAPTNPSR1KDM4E
SCHEMBL12345046 0.86 RAB9A (0.36) RAB9ANPC1STAT3GAAMAPT
SCHEMBL12345092 0.86 RAB9A (0.36) RAB9ANPC1STAT3GAAMAPT
SCHEMBL27777714 0.84 RORC (0.40) GAAALDH1A1LMNA
SCHEMBL13108632 0.84 RORC (0.40) GAAALDH1A1LMNA

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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