SCHEMBL27809458

SCHEMBL27809458

NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 4/20 0.55
TP53 P04637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
METAP2 P50579 1/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.54
MDM2 Q00987 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL27809488 0.84 TP53 (0.77) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL21123650 0.82 TP53 (0.78) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL6404136 0.82 KMT2A (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL18292561 0.82 MAPT (0.66) ALDH1A1POLBLMNAL3MBTL1RXFP1
SCHEMBL29381993 0.82 SMN1; SMN2 (0.65) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL6404317 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2APOLBSMN1; SMN2
SCHEMBL6402656 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL29453959 0.79 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15983434 0.77 ALDH1A1 (0.77) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14426679 0.76 SMN1; SMN2 (0.92) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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