SCHEMBL12345089

SCHEMBL12345089

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.33
▸ F13A1 P00488 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ TGM1 P22735 1/20 0.32
▸ TGM3 Q08188 1/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 4/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ POLB P06746 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
SCHEMBL12345111 0.88 RAB9A (0.33) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL12345119 0.87 RAB9A (0.33) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL12345114 0.86 STAT3 (0.32) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL13108647 0.85 AR (0.36) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL12345126 0.85 RAB9A (0.34) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL14302918 0.83 ATM (0.48) NPSR1KDM4EGAAMAPTRAB9A
SCHEMBL12345046 0.83 RAB9A (0.36) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL12345092 0.83 RAB9A (0.36) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL12345095 0.82 CTSK (0.35) STAT3NPSR1KDM4EMEN1KMT2A
SCHEMBL13123351 0.76 RAB9A (0.47) NPSR1KDM4EGAAMAPTALDH1A1

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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