SCHEMBL7636855

SCHEMBL7636855

Cc1cc(Br)c(OCCCBr)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 7/20 0.48
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KLK1 P06870 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7266985 0.89 KMT2A (0.46) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL14681886 0.83 KMT2A (0.53) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL12833107 0.83 THRA (0.57) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL12370664 0.83 KLK1 (0.44) KMT2AMEN1KDM4EALDH1A1HRH3
SCHEMBL27574370 0.82 KDM4E (0.50) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL7180070 0.79 KDM4E (0.48) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL12370674 0.79 ALDH1A1 (0.58) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL10766331 0.78 KMT2A (0.42) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL19816912 0.76 MAPT (0.50) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL19816923 0.76 MAPT (0.56) KMT2AMEN1KDM4EMAPTL3MBTL1

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