SCHEMBL3697338

SCHEMBL3697338

COc1ccc(C=CC(=O)c2cc(-c3ccccc3OC)ccc2N2CCN(C)CC2)c(N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PTPN1 P18031 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TNFRSF1A P19438 1/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL3688280 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3695263 0.93 TUBB4A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3694916 0.93 TUBB4A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3690906 0.92 PTPN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3697265 0.92 PTPN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3689004 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3686910 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3688283 0.90 ABCG2 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3697510 0.90 PTPN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3693493 0.90 PTPN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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