SCHEMBL28307221

SCHEMBL28307221

CCOC(=O)CCCC(C)Nc1ccc(N[SH](=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HCAR3 P49019 4/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28817464 0.82 MAPT (0.66) MAPTKDM4EHCAR3LMNAALDH1A1
SCHEMBL28308162 0.81 HCAR3 (0.43) MAPTKDM4EHCAR3LMNAALDH1A1
SCHEMBL28307223 0.80 MAPT (0.49) MAPTKDM4EHCAR3LMNAALDH1A1
SCHEMBL24619954 0.70 HCAR3 (0.48) MAPTHCAR3ALDH1A1KMT2APKM
SCHEMBL11295495 0.70 MAPT (0.56) MAPTKDM4EHCAR3ALDH1A1MAPK1
SCHEMBL22773525 0.69 FPR2 (0.44) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL31390954 0.69 KMT2A (0.42) MAPTKDM4EHCAR3LMNAALDH1A1
SCHEMBL11435301 0.67 ALDH1A1 (0.54) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL13728364 0.67 KMT2A (0.47) MAPTKDM4EHCAR3LMNAALDH1A1
SCHEMBL6966529 0.67 MAPT (0.53) MAPTKDM4ELMNAALDH1A1MAPK1

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