SCHEMBL3692907

SCHEMBL3692907

CN(C)CCCNc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
FLT3 P36888 2/20 0.44
MAOB P27338 5/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
MAOA P21397 3/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AR P10275 1/20 0.42
GUSB P08236 1/20 0.42

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
SCHEMBL3696655 1.00 CXCL12 (0.48) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL3693307 0.93 CXCL12 (0.50) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL3681609 0.93 CXCL12 (0.50) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL3692726 0.82 CXCL12 (0.47) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL3692909 0.80 MAPT (0.49) NPC1MAPTMEN1MAPK1KMT2A
SCHEMBL3688647 0.80 MAPT (0.55) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL3687524 0.80 MAPT (0.55) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL5915795 0.79 CXCL12 (0.56) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL5915662 0.79 CXCL12 (0.56) CXCL12NPC1MAPTMEN1MAPK1
SCHEMBL5915475 0.79 TMEM97 (0.45) CXCL12NPC1MAPTHDAC4HDAC1

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