SCHEMBL3692208

SCHEMBL3692208

CC(=O)c1ccccc1CN(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RIPK1 Q13546 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3693598 0.75 MEN1 (0.47) KDM4ESLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL22651795 0.74 HSPA5 (0.46) KDM4EATMALDH1A1KMT2AMEN1
SCHEMBL8579457 0.73 LMNA (0.46) KDM4ESMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL254888 0.73 HSD17B1 (0.48) KDM4ESMN1; SMN2LMNAALDH1A1TP53
SCHEMBL15223024 0.72 SMN1; SMN2 (0.39) KDM4EATMSLC6A4RIPK1SMN1; SMN2
SCHEMBL14438273 0.72 MAPT (0.43) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20355736 0.71 BCAT2 (0.41) KDM4ESMN1; SMN2LMNAALDH1A1PDK1
SCHEMBL7991923 0.71 ALDH1A1 (0.44) KDM4ERIPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL17059388 0.71 SLC6A2 (0.44) KDM4ESLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL5610368 0.71 LMNA (0.44) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A

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