SCHEMBL9685814

SCHEMBL9685814

Cc1nc(CN2C(=O)COc3cc([N+](=O)[O-])ccc32)no1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.44
SLC5A1 P13866 3/20 0.43
SLC5A2 P31639 3/20 0.43
NMT1 P30419 3/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD4 O60885 1/20 0.37
GRM5 P41594 1/20 0.37
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SCN9A Q15858 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9686469 0.83 NMT1 (0.41) SLC5A1SLC5A2NMT1HDAC4HDAC1
SCHEMBL8624433 0.79 SLC5A1 (0.51) TERTSLC5A1SLC5A2BRD4L3MBTL1
SCHEMBL8130592 0.78 TERT (0.48) TERTSLC5A1SLC5A2KCNH2GAA
SCHEMBL27376595 0.77 CASP1 (0.56) SLC5A1SLC5A2BRD4L3MBTL1SCN9A
SCHEMBL30806670 0.77 PIK3CG (0.48) TERTSLC5A1SLC5A2BRD4L3MBTL1
SCHEMBL27378218 0.77 PIK3CG (0.48) TERTSLC5A1SLC5A2BRD4L3MBTL1
SCHEMBL499722 0.76 NOS3 (0.50) TERTSLC5A1SLC5A2KCNH2GAA
SCHEMBL9687134 0.74 BRD4 (0.50) TERTSLC5A1SLC5A2HDAC1HDAC6
SCHEMBL17340322 0.74 CHRM1 (0.49) TERTSLC5A1SLC5A2KCNH2GAA
SCHEMBL282621 0.74 TERT (0.44) TERTSLC5A1SLC5A2BRD4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed