SCHEMBL3681815

SCHEMBL3681815

CN(C)CCNc1ccccc1C(=O)C=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.54
MAPT P10636 10/20 0.50
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 6/20 0.50
MEN1 O00255 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
MCL1 Q07820 2/20 0.50
GAA P10253 2/20 0.50
ALOX12 P18054 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
STAT3 P40763 1/20 0.47

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
SCHEMBL3681814 0.87 MAPT (0.47) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL3684332 0.87 MAPT (0.47) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL3681611 0.80 MAPT (0.51) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL3692728 0.80 LMNA (0.50) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL5915502 0.78 PTPN5 (0.59) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL5915667 0.78 PTPN5 (0.54) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL4846128 0.78 PTPN5 (0.54) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL3688290 0.78 MAPT (0.58) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4849185 0.77 PTPN5 (0.53) PTPN5MAPTALDH1A1KMT2ALMNA
SCHEMBL3684125 0.76 PDE4A (0.57) MAPTALDH1A1KMT2ALMNAMEN1

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 5 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