SCHEMBL3687696

SCHEMBL3687696

COc1ccc(C(=O)C=Cc2cc(N3CCN(C)CC3)ccc2-c2ccccc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
ABCB1 P08183 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CPS1 P31327 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
APP P05067 1/20 0.42
MAOB P27338 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 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
SCHEMBL3687693 0.90 HDAC8 (0.46) ALDH1A1ABCB1HDAC8HDAC3HDAC1
SCHEMBL3693483 0.90 HDAC8 (0.46) ALDH1A1ABCB1HDAC8HDAC3HDAC1
SCHEMBL3688311 0.79 CPS1 (0.44) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3686269 0.79 CPS1 (0.46) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL14280887 0.79 LMNA (0.48) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3694917 0.79 LMNA (0.48) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3686384 0.78 CPS1 (0.43) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3693494 0.78 LMNA (0.45) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3685566 0.78 TUBB4A (0.46) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3688857 0.77 CPS1 (0.48) MEN1LMNAKMT2AHPGDALDH1A1

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