SCHEMBL3686572

SCHEMBL3686572

CN(C)CCN(C)c1ccc(C(=O)C=Cc2ccc(Br)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
TLR9 Q9NR96 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
ALOX5 P09917 2/20 0.41
LMNA P02545 4/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALPG P10696 1/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL3687211 0.88 LMNA (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3691644 0.82 CYP1B1 (0.46) MAPTMEN1KMT2ATLR9CYP1A1
SCHEMBL3687806 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3686571 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3691515 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13464612 0.79 CYP1B1 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3685711 0.79 BCHE (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3687525 0.77 MAPT (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL657764 0.76 MAPT (0.60) MAPTALDH1A1MEN1KMT2ARECQL
SCHEMBL657763 0.76 MAPT (0.60) MAPTALDH1A1MEN1KMT2ARECQL

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