SCHEMBL27820437

SCHEMBL27820437

CC(=O)Nc1ccc(C[SH](=O)=O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IDO1 P14902 1/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.44
ESRRA P11474 1/20 0.44

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
SCHEMBL27535450 0.84 NPC1 (0.47) RORCSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10619104 0.83 RORC (0.62) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL27839805 0.83 ALDH1A1 (0.50) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL9756597 0.82 RORC (0.56) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL27839851 0.81 HDAC1 (0.44) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL11622425 0.81 RORC (0.55) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL27916473 0.81 RORC (0.55) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL1906950 0.79 RORC (0.54) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL4548035 0.76 EPHX1 (0.70) RORCSMN1; SMN2POLBMEN1KMT2A
SCHEMBL14368008 0.73 RORC (0.58) RORCSMN1; SMN2POLBL3MBTL1MAPT

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-102177137-A 1-phenylpyrrole compounds EXELIXIS INC 2011-09-07 CN disclosed