SCHEMBL3689596

SCHEMBL3689596

COc1ccccc1-c1ccc(C=CC(=O)c2cccc(CN(C)C)c2)c(N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.48
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
RELA Q04206 4/20 0.40
BCHE P06276 2/20 0.40
HDAC3 O15379 2/20 0.40

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
SCHEMBL3681835 0.97 HTR7 (0.46) HTR7LMNAMEN1KMT2AKDM4E
SCHEMBL3685026 0.89 KEAP1 (0.42) HTR7LMNAMEN1KMT2AKDM4E
SCHEMBL3685247 0.86 ALDH1A1 (0.43) HTR7LMNAMEN1KMT2AKDM4E
SCHEMBL3690600 0.85 HDAC3 (0.48) KMT2AALDH1A1HPGDTSHRKEAP1
SCHEMBL3686024 0.85 HDAC3 (0.48) KMT2AALDH1A1HPGDTSHRKEAP1
SCHEMBL3686880 0.84 KEAP1 (0.43) HTR7LMNAMEN1KMT2AKDM4E
SCHEMBL3687288 0.84 BCHE (0.42) LMNAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3696160 0.83 HDAC3 (0.49) HTR7LMNAALDH1A1SMN1; SMN2NR1H4
SCHEMBL3689594 0.83 HDAC3 (0.49) HTR7LMNAALDH1A1SMN1; SMN2NR1H4
SCHEMBL3693464 0.83 PTPN1 (0.43) HTR7LMNAMEN1KMT2AKDM4E

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