SCHEMBL28308162

SCHEMBL28308162

CCCC(CC(=O)OCC)Nc1ccc(N[SH](=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 7/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPK1 P28482 4/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGER4 P35408 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL28307221 0.81 MAPT (0.50) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL2314528 0.81 KMT2A (0.46) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL2314530 0.81 KMT2A (0.46) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL28308164 0.79 MAPT (0.45) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL2311394 0.79 MAPT (0.53) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL28817464 0.75 MAPT (0.66) HCAR3LMNAALDH1A1MAPTKDM4E
SCHEMBL1294578 0.72 MAPT (0.39) LMNAALDH1A1MAPTKDM4ERAB9A
SCHEMBL1294580 0.72 MAPT (0.39) LMNAALDH1A1MAPTKDM4ERAB9A
SCHEMBL22867437 0.70 GAA (0.46) LMNAALDH1A1MAPTRAB9AGAA
SCHEMBL2318048 0.68 MAPT (0.47) ALDH1A1MAPTRAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957315-B N- replaces benzenesulfonyl-azaindole oxybenzamide class compound and its prepares the purposes of drug 中国人民解放军第二军医大学 2019-08-13 CN disclosed