SCHEMBL4593045

SCHEMBL4593045

Cc1onc(-c2ccccc2)c1C(=O)c1cc2cc(OC(C=O)c3c(-c4ccccc4)noc3C)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.40
BACE1 P56817 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 3/20 0.39
FLT3 P36888 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
SCHEMBL4593203 0.94 TP53 (0.43) KMT2AMEN1TP53GAATSHR
SCHEMBL2825483 0.83 TSHR (0.56) KMT2AMEN1TP53GAATSHR
SCHEMBL2825539 0.80 PIM1 (0.57) KMT2AMEN1TP53GAATSHR
SCHEMBL2825529 0.79 L3MBTL1 (0.48) KMT2AMEN1GAATSHRATM
SCHEMBL4593198 0.79 KMT2A (0.59) KMT2AMEN1GAATSHRPOLB
SCHEMBL4592280 0.78 KMT2A (0.53) KMT2AMEN1TP53GAATSHR
SCHEMBL2830358 0.78 KMT2A (0.53) KMT2AMEN1GAATSHRBACE1
SCHEMBL2827281 0.77 TSHR (0.55) KMT2AMEN1TP53GAATSHR
SCHEMBL2827781 0.74 BACE1 (0.49) KMT2ATSHRBACE1FLT3
SCHEMBL2827855 0.73 KMT2A (0.54) KMT2AMEN1GAATSHRPOLB

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-1948648-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP disclosed
WO-2007054444-A2 3-ARYL-ISOXAZOLE-4-CARBONYL-BENZOFURAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed