SCHEMBL9265255

SCHEMBL9265255

O=c1cc(O)cc(CBr)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 3/20 0.48
MEN1 O00255 3/20 0.48
GLA P06280 3/20 0.48
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
CASP7 P55210 4/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 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
SCHEMBL9271155 0.80 CYP3A4 (0.50) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL6912133 0.78 CYP3A4 (0.54) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL5715985 0.78 KMT2A (0.48) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL8115316 0.78 MEN1 (0.44) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL31733931 0.77 CYP3A4 (0.47) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL3700781 0.75 MEN1 (0.50) KMT2ACYP3A4MEN1GLAALDH1A1
Benzene SCHEMBL27508653 0.74 CYP3A4 (0.48) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL30302271 0.74 CYP3A4 (0.48) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL2316707 0.74 CYP3A4 (0.48) KMT2ACYP3A4MEN1GLATDP1
SCHEMBL9269514 0.74 CYP3A4 (0.44) KMT2ACYP3A4MEN1GLATDP1

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
US-5443970-A SEPARATION OF ISOMERS IN A MIXTURE BY SELECTIVE REACTION ZENECA LIMITED (GB) 1995-08-22 US disclosed
EP-0604483-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES ZENECA LIMITED (GB) 1994-07-06 EP disclosed
WO-1993006235-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 4-HYDROXYTETRAHYDRO-2-PYRANONE DERIVATIVES ZENECA LIMITED (GB) 1993-04-01 WO disclosed