SCHEMBL6205026

SCHEMBL6205026

Cc1cc(C(N)=O)c(C)c([N+](=O)[O-])c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 3/20 0.37
BLM P54132 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
SCHEMBL4332774 0.86 ALDH1A1 (0.40) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL2259930 0.84 TSHR (0.46) TDP1POLBKDM4EL3MBTL1GRIN2D
SCHEMBL19547595 0.82 GRIN2D (0.41) TDP1POLBKDM4EGRIN2DGRIN3B
SCHEMBL27621172 0.81 POLB (0.38) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL28019068 0.81 TDP1 (0.38) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL30597565 0.79 ALDH1A1 (0.61) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL3939543 0.79 LMNA (0.42) TDP1POLBKDM4EGRIN2DGRIN3B
SCHEMBL27621308 0.79 TDP1 (0.39) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL28845802 0.79 BCAT2 (0.41) TDP1POLBKDM4ECTDSP1L3MBTL1
SCHEMBL3347421 0.79 ALDH1A1 (0.47) TDP1POLBKDM4ECTDSP1L3MBTL1

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
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed