SCHEMBL7059765

SCHEMBL7059765

COC(=O)C(CCc1ccc2ccccc2c1Br)=NO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NCEH1 Q6PIU2 4/20 0.41
MMP3 P08254 2/20 0.41
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
MTNR1A P48039 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7059763 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7057912 0.88 PRNP (0.41) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7057910 0.88 PRNP (0.41) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7059673 0.87 NCEH1 (0.39) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7059670 0.87 NCEH1 (0.39) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7056422 0.85 LMNA (0.41) SMN1; SMN2NCEH1MMP3LMNAMTNR1A
SCHEMBL7056423 0.85 LMNA (0.41) SMN1; SMN2NCEH1MMP3LMNAMTNR1A
SCHEMBL7060990 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HPGDNPC1MAPTRAB9A
SCHEMBL7060227 0.84 MTNR1A (0.48) ALDH1A1MTNR1A
SCHEMBL7060229 0.84 MTNR1A (0.48) ALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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