SCHEMBL6979726

SCHEMBL6979726

CC(C)C(=O)N1CC(C(=O)O)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 2/20 0.48
SIRT3 Q9NTG7 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PDK1 Q15118 1/20 0.46
CYP2C9 P11712 1/20 0.44
SIRT1 Q96EB6 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
TDP1 Q9NUW8 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
SCHEMBL924847 0.84 NOTUM (0.53) KMT2AMEN1ATMPOLBSIRT3
SCHEMBL6965201 0.82 KMT2A (0.55) KMT2AMEN1ATMPOLBSIRT3
SCHEMBL925260 0.77 SIRT1 (0.48) KMT2APOLBSIRT3HSP90AA1PDK1
SCHEMBL24378124 0.77 SIRT1 (0.52) KMT2AMEN1POLBSIRT3HSP90AA1
SCHEMBL29516196 0.77 SIRT1 (0.52) KMT2AMEN1POLBSIRT3HSP90AA1
SCHEMBL924383 0.77 SIRT1 (0.47) KMT2AMEN1ATMPOLBSIRT3
SCHEMBL26938810 0.74 KMT2A (0.46) KMT2AMEN1ATMSIRT3SIRT1
SCHEMBL15452699 0.74 POLB (0.60) KMT2APOLBSIRT3HSP90AA1PDK1
SCHEMBL926521 0.73 SIRT1 (0.47) POLBHSP90AA1PDK1CYP2C9SIRT1
SCHEMBL924090 0.72 POLB (0.46) KMT2AMEN1POLBSIRT3HSP90AA1

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
EP-1140925-B1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES WYETH CORP (US) 2003-04-23 EP disclosed
EP-1140925-A1 (3,4 DIHYDRO-2H-BENZO[1,4] OXAZINYL-METHYL)- 3-(1H-INDOL-3- YL)-ALKYL -AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040580-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINYL-METHYL[3-(1H-INDOL-3-YL)-ALKYL]-AMINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed