SCHEMBL1246771

SCHEMBL1246771

CCc1sc(-c2ccccc2)nc1C(=O)NC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALOX5 P09917 1/20 0.53
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
STAT3 P40763 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL6602729 0.85 L3MBTL1 (0.74) L3MBTL1ALDH1A1ALOX5SMN1; SMN2PTGDR2
SCHEMBL7455571 0.79 ALDH1A1 (0.60) L3MBTL1HPGDALDH1A1NPSR1NPC1
SCHEMBL7456488 0.77 ALDH1A1 (0.65) L3MBTL1HPGDALDH1A1NPSR1NPC1
SCHEMBL6840453 0.75 L3MBTL1 (0.55) L3MBTL1HPGDALDH1A1NPSR1NPC1
SCHEMBL5238288 0.74 L3MBTL1 (0.58) L3MBTL1HPGDALDH1A1PTGDR2KDM4E
SCHEMBL6502484 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1ALOX5NPC1SMN1; SMN2
SCHEMBL6608210 0.74 PTGDR2 (0.63) L3MBTL1HPGDALDH1A1PTGDR2KDM4E
SCHEMBL9628554 0.73 TRPM8 (0.62) L3MBTL1ALOX5MAPTPTGDR2TRPM8
SCHEMBL13407796 0.73 ALDH1A1 (1.00) L3MBTL1HPGDALDH1A1NPSR1NPC1
SCHEMBL6503373 0.72 L3MBTL1 (0.57) L3MBTL1HPGDALDH1A1ALOX5NPC1

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-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 WO disclosed