SCHEMBL3126901

SCHEMBL3126901

CC(=S)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
KMT2A Q03164 7/20 0.72
ALDH1A1 P00352 5/20 0.72
POLB P06746 5/20 0.71
MAPT P10636 7/20 0.68
MEN1 O00255 6/20 0.68
HTT P42858 2/20 0.68
DDX3X O00571 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
BLM P54132 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.56
MAPK1 P28482 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGD P15428 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56

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
SCHEMBL1880400 0.87 POLB (0.68) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL29838541 0.87 POLB (0.68) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL30434704 0.86 KMT2A (0.82) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL5455148 0.86 KMT2A (0.82) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL18940697 0.85 KMT2A (0.79) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL1248559 0.85 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL12523964 0.85 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL7865709 0.83 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL11595071 0.83 POLB (0.68) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL6811011 0.82 SMN1; SMN2 (0.81) SMN1; SMN2KMT2AALDH1A1POLBMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-2945625-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2015-11-25 EP disclosed
WO-2014113492-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2014-07-24 WO disclosed
WO-2014113492-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2014-07-24 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
US-4820332-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-04-11 US disclosed
US-4643759-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-17 US disclosed
EP-0168264-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-15 EP disclosed