SCHEMBL3687798

SCHEMBL3687798

COc1ccc(C(=O)C=Cc2ccc(NCCN(C)C)cc2)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.68
MAPT P10636 5/20 0.67
TNFRSF1A P19438 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPK1 P28482 2/20 0.65
USP2 O75604 1/20 0.65
TLR9 Q9NR96 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
XDH P47989 1/20 0.63
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
FLT3 P36888 1/20 0.55
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
CYP3A4 P08684 3/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL3692694 1.00 ABCG2 (0.68) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3686114 0.89 MEN1 (0.57) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3691584 0.89 MAPT (0.60) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3696664 0.89 MAPT (0.60) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3686295 0.86 ABCG2 (0.67) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3693773 0.86 ABCG2 (0.67) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3687313 0.84 TUBB1 (0.58) ABCG2MAPTTNFRSF1AMEN1KMT2A
SCHEMBL3693412 0.83 F3 (0.64) MAPTTNFRSF1AMEN1KMT2AXDH
SCHEMBL3693312 0.83 F3 (0.64) MAPTTNFRSF1AMEN1KMT2AXDH
SCHEMBL3688593 0.83 F3 (0.64) MAPTTNFRSF1AMEN1KMT2AXDH

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