SCHEMBL7530232

SCHEMBL7530232

Cc1c(N[C]=O)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 3/20 0.55
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL513737 0.82 MAPK1 (0.56) TDP1SMN1; SMN2POLBALDH1A1GAA
SCHEMBL4867984 0.81 GPR35 (0.50) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL17847162 0.80 TDP1 (0.67) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL1770694 0.77 TDP1 (0.56) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL472112 0.77 TDP1 (1.00) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL11325469 0.76 LMNA (0.83) TDP1SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL11551428 0.76 POLB (0.75) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL7530234 0.76 TDP1 (0.60) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL3969549 0.75 KEAP1 (0.59) TDP1SMN1; SMN2TSHRPOLBLMNA
SCHEMBL6789579 0.75 POLB (0.68) TDP1SMN1; SMN2POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed