SCHEMBL6306501

SCHEMBL6306501

O=C1CNCc2ccccc2N1Cc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
CYP2C9 P11712 2/20 0.48
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
UBE2N P61088 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.45
ALDH3A1 P30838 1/20 0.45
NR3C2 P08235 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TP53 P04637 3/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44

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
SCHEMBL6302300 0.85 POLB (0.65) KMT2AMEN1CYP2C9GAACYP1A2
SCHEMBL30361151 0.76 GSK3A (0.66) KMT2AMEN1SMN1; SMN2UBE2NTDP1
SCHEMBL7242574 0.76 KMT2A (0.59) KMT2AMEN1CYP2C9GAACYP1A2
SCHEMBL6300505 0.74 POLB (0.51) KMT2AMEN1CYP2C9GAACYP1A2
SCHEMBL6300286 0.74 ATAD2 (0.43) KMT2AMEN1GAACYP1A2SMN1; SMN2
SCHEMBL6300376 0.74 CHRM2 (0.52) KMT2AMEN1GAASMN1; SMN2POLB
SCHEMBL4994825 0.73 KMT2A (0.56) KMT2AMEN1CYP2C9GAACYP1A2
SCHEMBL6847652 0.72 DRD2 (0.53) KMT2AGAAPOLBTDP1ALDH1A1
SCHEMBL31499254 0.71 MEN1 (0.62) KMT2AMEN1CYP2C9GAACYP1A2
SCHEMBL27377383 0.71 MEN1 (0.62) KMT2AMEN1CYP2C9GAACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838455-B2 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-01-04 US disclosed
US-6774125-B2 TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6696438-B2 AMYLOID PRECURSOR PROTEIN ANTAGONISTS, 3-((N'-(3-PYRIDINOYL)-L -ALANINYL)-AMINO-3-METHYL-4,5,6,7-TETRAHYDRO-2H-3-BENZAZEPIN-2-ONE, USED FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-6509331-B1 Bicyclic amides such as 5-('-(2S-hydroxy-3-methylbutyrl)-2S-aminopropyl)amino-7-methyl-5,7-dihydro -6H-dibenz(b,d)azepin-6-one ELAN PHARMACEUTICALS, INC. 2003-01-21 US disclosed