SCHEMBL3685247

SCHEMBL3685247

COc1ccccc1-c1ccc(C=CC(=O)c2ccccc2CN(C)C)c(N2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
HRH2 P25021 2/20 0.42
DRD3 P35462 2/20 0.42
HRH1 P35367 1/20 0.42
PTPN1 P18031 2/20 0.41
HTR7 P34969 1/20 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
SCHEMBL3693464 0.97 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3684552 0.94 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685874 0.93 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3686258 0.90 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685244 0.90 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3683972 0.89 DRD2 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685026 0.88 KEAP1 (0.42) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3695006 0.87 PTPN1 (0.44) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3693463 0.87 PTPN1 (0.44) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3689596 0.86 HTR7 (0.48) ALDH1A1LMNASMN1; SMN2KDM4EMEN1

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