SCHEMBL7054292

SCHEMBL7054292

Cn1cc(C[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.45
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CPA1 P15085 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL7056737 0.81 ALDH1A1 (0.34) ARPOLBCPA1TP53HTT
SCHEMBL7054295 0.75 TDP1 (0.41) ARTDP1CYP2C9MEN1POLB
SCHEMBL2830141 0.75 TDP1 (0.41) ARTDP1CYP2C9MEN1POLB
SCHEMBL1662655 0.74 AR (0.51) ARTDP1CYP2C9MEN1POLB
Hydrochloric Acid SCHEMBL6151019 0.72 AR (0.50) ARTDP1CYP2C9MEN1POLB
SCHEMBL1666475 0.72 TDP1 (0.40) ARTDP1CYP2C9MEN1POLB
SCHEMBL11779027 0.67 CASP6 (0.41) TDP1MEN1KMT2ATP53HCAR3
SCHEMBL5174989 0.66 TDP1 (0.46) ARTDP1CYP2C9MEN1POLB
SCHEMBL2783116 0.66 CYP2C9 (0.54) TDP1CYP2C9MEN1POLBKMT2A
SCHEMBL3674837 0.66 TDP1 (0.46) ARTDP1CYP2C9MEN1POLB

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
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed