SCHEMBL6595618

SCHEMBL6595618

O=[N+]([O-])c1cccc2c(O)nccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.62
POLB P06746 2/20 0.56
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
CTSB P07858 3/20 0.51
ALDH1A1 P00352 10/20 0.51
MAPT P10636 7/20 0.51
KDM4E B2RXH2 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 4/20 0.51
IDO1 P14902 2/20 0.51
TDO2 P48775 2/20 0.51
HSP90AA1 P07900 2/20 0.51
OPRK1 P41145 2/20 0.51
CASP6 P55212 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL27415734 0.82 TDP1 (0.67) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL11819002 0.81 TDP1 (0.64) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL9836130 0.79 TDP1 (0.62) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL619830 0.79 TDP1 (0.62) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL10549357 0.79 TDP1 (0.62) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL2379102 0.79 TDP1 (0.62) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL27932601 0.79 TDP1 (0.62) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL57166 0.79 TDP1 (1.00) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL29475175 0.79 TDP1 (1.00) TDP1POLBNCOA1NCOA3CTSB
SCHEMBL5659170 0.79 TDP1 (0.56) TDP1POLBNCOA1NCOA3CTSB

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed