SCHEMBL27756864

SCHEMBL27756864

CCNCC(CC(=O)OC)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.41
▸ SLC22A12 Q96S37 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ AR P10275 2/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL13108633 1.00 RORC (0.41) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL13108641 0.91 RORC (0.40) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL27777714 0.89 RORC (0.40) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL13108632 0.89 RORC (0.40) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL27756872 0.89 RORC (0.40) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL3031514 0.89 RORC (0.42) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL13108619 0.89 RORC (0.40) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL13108646 0.88 RORC (0.38) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL12345090 0.87 MEN1 (0.37) RORCSLC22A12GAAALDH1A1LMNA
SCHEMBL13108643 0.81 RORC (0.39) RORCSLC22A12GAAALDH1A1LMNA

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
CN-101522190-A Pyrrolidinone anilines as progesterone receptor modulators SMITHKLINE BEECHAM CORP (US) 2009-09-02 — — CN disclosed
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