SCHEMBL3685103

SCHEMBL3685103

COc1ccc(C(=O)/C=C/c2cc(-c3ccccc3OC)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
CPS1 P31327 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPY2R P49146 1/20 0.40
SLC2A1 P11166 1/20 0.40
TNFRSF1A P19438 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
TP53 P04637 1/20 0.40
STS P08842 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
SCHEMBL3685105 1.00 ABCB1 (0.45) ABCB1MEN1KMT2ALMNAHPGD
SCHEMBL3688916 0.90 MEN1 (0.46) MEN1KMT2ALMNAHPGDGAA
SCHEMBL14280887 0.88 LMNA (0.48) MEN1KMT2ALMNAHPGDGAA
SCHEMBL3694917 0.88 LMNA (0.48) MEN1KMT2ALMNAHPGDGAA
SCHEMBL3693494 0.85 LMNA (0.45) MEN1KMT2ALMNAHPGDGAA
SCHEMBL4879944 0.85 LMNA (0.46) MEN1KMT2ALMNAHPGDGAA
SCHEMBL4879941 0.85 LMNA (0.46) MEN1KMT2ALMNAHPGDGAA
SCHEMBL3690195 0.85 BACE1 (0.45) ABCB1MEN1KMT2ALMNAHPGD
SCHEMBL3690191 0.85 BACE1 (0.45) ABCB1MEN1KMT2ALMNAHPGD
SCHEMBL3687219 0.85 MEN1 (0.44) MEN1KMT2ALMNAHPGDGAA

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 7 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO 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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed