SCHEMBL3686299

SCHEMBL3686299

COc1ccc(OC)c(C=CC(=O)c2ccc(NCCCN(C)C)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.67
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ATM Q13315 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TNFRSF1A P19438 2/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
POLB P06746 1/20 0.52
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RELA Q04206 2/20 0.50
HPGD P15428 2/20 0.50
CAPN1 P07384 1/20 0.50
MEN1 O00255 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
SCHEMBL5915399 0.87 ABCG2 (0.63) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3687801 0.86 TNFRSF1A (0.67) ABCG2LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL3684008 0.85 PTPN1 (0.48) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3688644 0.84 ABCG2 (0.58) ABCG2LMNAMAPTKDM4EATM
SCHEMBL5915526 0.83 ABCG2 (0.73) ABCG2LMNAMAPTKDM4EATM
SCHEMBL4845561 0.83 ABCG2 (0.73) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3686109 0.82 MAOB (0.53) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3692697 0.82 MAOB (0.53) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3682377 0.82 PDE4A (0.56) ABCG2LMNAMAPTKDM4EATM
SCHEMBL3693773 0.81 ABCG2 (0.67) ABCG2MAPTL3MBTL1TNFRSF1APDE4A

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-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed