SCHEMBL14535182

SCHEMBL14535182

COc1ccccc1NC(=O)C(N=Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL14864524 0.93 KMT2A (0.43) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL28398444 0.88 GRIN2D (0.41) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL92091 0.88 GRIN2D (0.41) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL12760851 0.88 MEN1 (0.48) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL6928762 0.88 MEN1 (0.48) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL29352667 0.88 MEN1 (0.48) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL2141173 0.87 KMT2A (0.49) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL12760842 0.87 KMT2A (0.49) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL12760841 0.87 KMT2A (0.49) ALDH1A1MAPTTDP1LMNASMN1; SMN2
SCHEMBL12960458 0.87 KMT2A (0.42) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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-107064674-A A kind of still kettle power supply control apparatus and its method of work based on ZigBee control systems 徐州工程学院 2017-08-18 CN disclosed
US-7214460-B2 Yellow toner CANON KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed