SCHEMBL3687529

SCHEMBL3687529

COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccccc1N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
PTPN1 P18031 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL3693475 1.00 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1GAAMAPT
SCHEMBL3685946 0.88 CHRNA7 (0.44) SMN1; SMN2MAPTPTPN1MEN1KMT2A
SCHEMBL3692417 0.88 CHRNA7 (0.44) SMN1; SMN2MAPTPTPN1MEN1KMT2A
SCHEMBL3686263 0.88 HTR1A (0.43) SMN1; SMN2LMNANPSR1GAAMAPT
SCHEMBL3692486 0.88 HTR1A (0.43) SMN1; SMN2LMNANPSR1GAAMAPT
SCHEMBL3687530 0.88 PTPN1 (0.55) SMN1; SMN2LMNANPSR1MAPTPTPN1
SCHEMBL3692364 0.85 HTR1A (0.44) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL3687759 0.85 HTR1A (0.44) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL3685949 0.80 CAPN1 (0.47) SMN1; SMN2MAPTPTPN1MEN1KMT2A
SCHEMBL3686266 0.80 PDE4A (0.43) SMN1; SMN2PTPN1HDAC3HDAC4HDAC1

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