SCHEMBL3687525

SCHEMBL3687525

CN(C)CCN(C)c1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 2/20 0.44
PTPN5 P54829 1/20 0.44
MEN1 O00255 2/20 0.43
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL3688563 0.87 MAPT (0.47) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL3688559 0.87 MAPT (0.47) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL3686656 0.87 ALDH1A1 (0.52) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL3688379 0.83 MAOB (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3684551 0.83 MAOB (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3684549 0.83 MAOB (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5915668 0.81 MAPT (0.53) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL4846787 0.81 BCHE (0.61) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL3681611 0.81 MAPT (0.51) MAPTALDH1A1NPC1POLBRAB9A
SCHEMBL1225557 0.80 LMNA (0.65) MAPTALDH1A1NPC1POLBRAB9A

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 3 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
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