SCHEMBL3686571

SCHEMBL3686571

CN(C)CCN(C)c1ccc(C=CC(=O)c2ccc(Br)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 5/20 0.46
TLR9 Q9NR96 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 3/20 0.46
ALPG P10696 1/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 6/20 0.45
MAOA P21397 5/20 0.45
RECQL P46063 3/20 0.44
USP2 O75604 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL3687806 1.00 MAPT (0.47) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3690634 0.88 MAPT (0.43) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3687209 0.88 MAPT (0.43) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3691642 0.81 TUBB4A (0.46) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3692354 0.81 TUBB4A (0.46) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3686572 0.80 MAPT (0.46) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3691513 0.79 MAPT (0.73) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3693538 0.79 MAPT (0.73) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3691359 0.79 ALDH1A1 (0.58) MAPTL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3685710 0.79 ALDH1A1 (0.58) MAPTL3MBTL1NPSR1MEN1KMT2A

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