SCHEMBL7641682

SCHEMBL7641682

COC(=O)/C(CCCOc1c(Br)cc(C)cc1Br)=N\O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7641686 1.00 KDM4E (0.46) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7634883 0.88 APOBEC3A (0.46) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7634879 0.88 APOBEC3A (0.46) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7640039 0.86 KDM4E (0.42) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7640043 0.86 KDM4E (0.42) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7638992 0.83 TDP1 (0.55) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7638989 0.83 TDP1 (0.55) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7640922 0.83 KDM4E (0.49) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7635402 0.81 MEN1 (0.47) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL7635396 0.81 MEN1 (0.47) KDM4EALDH1A1TDP1CYP1A2CYP2D6

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