SCHEMBL11035541

SCHEMBL11035541

O=C1NC(C(=O)O)Cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.45
ITGB1 P05556 1/20 0.44
ITGA2 P17301 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HTR1A P08908 1/20 0.42
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
PNMT P11086 6/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL10854713 1.00 TDP2 (0.45) TDP2ITGB1ITGA2TDP1CYP3A4
SCHEMBL30213424 0.83 GAA (0.55) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL4537304 0.83 GAA (0.55) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL16116108 0.83 GAA (0.55) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL10293160 0.79 GAA (0.54) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL29697818 0.79 GAA (0.54) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL16115726 0.79 GAA (0.54) TDP1PNMTADRA2AADRA2BADRA2C
SCHEMBL8247179 0.79 PNMT (0.57) TDP2TDP1CYP3A4HTR1ACAPN9
SCHEMBL10855641 0.77 GAA (0.44) ITGB1ITGA2GAAMAPT
SCHEMBL15623045 0.75 PNMT (0.56) PNMTADRA2AADRA2BADRA2C

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
EP-0134582-A2 Novel peptides and process for preparing the same and pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1985-03-20 EP disclosed