SCHEMBL27809488

SCHEMBL27809488

NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
LMNA P02545 3/20 0.71
CDC25A P30304 1/20 0.67
CDC25B P30305 1/20 0.67
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 1/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
POLB P06746 2/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RGS12 O14924 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 1/20 0.58
MDM2 Q00987 1/20 0.57
PTK2 Q05397 1/20 0.57

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
SCHEMBL12311688 0.88 LMNA (0.74) TP53L3MBTL1LMNACDC25ACDC25B
SCHEMBL21123650 0.86 TP53 (0.78) TP53L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL6402656 0.85 ALDH1A1 (0.72) LMNACDC25ACDC25BALDH1A1KDM4E
SCHEMBL27787551 0.84 MEN1 (0.61) TP53L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL27809458 0.84 ALDH1A1 (0.63) TP53L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL15983434 0.81 ALDH1A1 (0.77) TP53L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL6212432 0.81 LMNA (0.80) TP53L3MBTL1LMNACDC25ACDC25B
SCHEMBL6408144 0.81 HTT (0.78) TP53L3MBTL1LMNACDC25ACDC25B
SCHEMBL11996357 0.80 TP53 (0.62) TP53LMNACDC25ACDC25BALDH1A1
SCHEMBL10143969 0.79 ALDH1A1 (0.70) TP53L3MBTL1LMNACDC25ACDC25B

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
CN-101805302-B 2- (4-phenyl-3-aryloxy-1, 2, 4-triazole-5-sulfenyl) acetamide and synthesis and application thereof UNIV NORTHWEST NORMAL 2012-05-09 CN disclosed
CN-101805302-A 2-(4-phenyl-3-aryloxy-1,2,4-triazole-5-sulfenyl) acetamide and synthesis and application thereof UNIV NORTHWEST NORMAL 2010-08-18 CN disclosed