SCHEMBL3684732

SCHEMBL3684732

COc1ccc(C(C)=O)cc1CN(C)C

nearest known ligand 0.97

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
KMT2A Q03164 4/20 0.97
MEN1 O00255 3/20 0.97
HTT P42858 1/20 0.58
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADRB2 P07550 1/20 0.55
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL18280632 0.87 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1HTTTSHR
SCHEMBL6342125 0.84 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL334398 0.84 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL29956378 0.83 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL14003532 0.83 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL8649778 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL1557718 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL13461886 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL29954367 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1HTTHPGD
SCHEMBL29956047 0.81 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1HTTHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-7423181-B2 in particular against bacterial and parasitic infections, fungi, and helminths; improved metabolic and physiochemical properties, bioavailability, solubility; 3-[4-(2-Dimethylamino-ethoxy)-2'-trifluoromethyl-biphenyl-3-yl]-1-(2-dimethylaminomethyl-phenyl)-propenone LICA PHARMACEUTICALS A/S (DK) 2008-09-09 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
US-20060052600-A1 Amino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-03-09 US disclosed
US-20050227990-A1 Aminoalkoxy-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2005-10-13 US disclosed
EP-1515940-A2 AMINOALKOXY-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-03-23 EP disclosed
EP-1506157-A2 AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP 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
WO-2003097574-A2 AMINOALKOXY-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed
WO-2003097575-A2 AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed