SCHEMBL7634893

SCHEMBL7634893

COC(=O)C(=O)Cc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
HPGD P15428 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
SCHEMBL7634832 0.87 TDP1 (0.50) TSHRTDP1SMN1; SMN2MAPTKMT2A
SCHEMBL7633450 0.86 MEN1 (0.57) TSHRSMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL7640736 0.85 TDP1 (0.47) TSHRTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL1294540 0.81 TSHR (0.58) TSHRTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL15819861 0.81 TSHR (0.58) TSHRTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL7640829 0.81 KMT2A (0.48) TSHRTDP1SMN1; SMN2MAPTNPSR1
SCHEMBL5506551 0.80 TDP1 (0.56) TSHRTDP1SMN1; SMN2MAPTKMT2A
SCHEMBL31016532 0.79 L3MBTL1 (0.49) TSHRTDP1SMN1; SMN2MAPTNPSR1
SCHEMBL3727437 0.79 TDP1 (0.51) TSHRTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL18288240 0.77 TSHR (0.66) TSHRTDP1SMN1; SMN2MAPTNPSR1

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
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed