SCHEMBL7979446

SCHEMBL7979446

O=C1NCCC(=O)c2c1[nH]c1ccc([N+](=O)[O-])cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
LMNA P02545 3/20 0.73
TDP1 Q9NUW8 2/20 0.73
HTT P42858 1/20 0.73
NCOA1 Q15788 1/20 0.73
NCOA3 Q9Y6Q9 1/20 0.73
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
PARP1 P09874 1/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
HTR2A P28223 1/20 0.47
HTR6 P50406 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
FLT3 P36888 2/20 0.45

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
SCHEMBL6239759 0.84 MAPT (1.00) MAPTLMNATDP1HTTNCOA1
SCHEMBL7976297 0.79 CDK5 (0.55) MAPTLMNATDP1HTTNCOA1
SCHEMBL7979758 0.79 KDM4E (0.48) MAPTLMNATDP1HTTNCOA1
SCHEMBL7979445 0.79 KDM4E (0.52) MAPTLMNATDP1HTTNCOA1
SCHEMBL7982365 0.79 KDM4E (0.70) MAPTLMNATDP1HTTNCOA1
SCHEMBL3001277 0.79 MAPT (0.52) MAPTLMNATDP1HTTNCOA1
SCHEMBL6454307 0.79 MAPT (0.57) MAPTLMNATDP1HTTNCOA1
SCHEMBL3426469 0.78 MAPT (0.56) MAPTLMNATDP1HTTNCOA1
SCHEMBL3426466 0.78 MAPT (0.56) MAPTLMNATDP1HTTNCOA1
SCHEMBL3427648 0.76 TUBB4A (0.68) MAPTLMNATDP1HTTNCOA1

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
WO-2001064680-A1 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-07 WO claimed