SCHEMBL5182191

SCHEMBL5182191

Nc1ccc(CC(=O)Nc2ccccn2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
GAA P10253 2/20 0.55
HDAC3 O15379 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ESR1 P03372 1/20 0.50
POLB P06746 1/20 0.50
STAT3 P40763 1/20 0.50

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
SCHEMBL6490488 0.82 KMT2A (0.74) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL5171337 0.80 POLB (0.65) KMT2AMEN1GAASMN1; SMN2HDAC1
SCHEMBL5088801 0.79 EPHX2 (0.60) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL5160350 0.79 GAA (0.55) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL4908980 0.78 KMT2A (0.82) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL5175851 0.78 CXCR4 (0.63) KMT2AMEN1GAAPOLBRAB9A
Difenpiramide SCHEMBL23833 0.76 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL29270879 0.76 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
Difenpiramide SCHEMBL29238669 0.76 KMT2A (1.00) KMT2AMEN1SLC6A2SLC6A3GAA
SCHEMBL19555122 0.76 KMT2A (0.77) KMT2AMEN1SLC6A2SLC6A3GAA

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
EP-1781597-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2007-05-09 EP disclosed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO disclosed