SCHEMBL3684552

SCHEMBL3684552

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PTPN1 P18031 2/20 0.39
NPY2R P49146 1/20 0.38
ABL1 P00519 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37

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
SCHEMBL3685247 0.94 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3693464 0.91 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3684550 0.91 PTPN1 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3691194 0.91 PTPN1 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685874 0.90 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3683972 0.86 DRD2 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685244 0.84 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3686258 0.84 PTPN1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3685026 0.82 KEAP1 (0.42) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL3689596 0.81 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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