SCHEMBL3687209

SCHEMBL3687209

CN(C)CCN(C)c1cccc(/C=C/C(=O)c2ccc(Br)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
LMNA P02545 5/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RECQL P46063 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX12 P18054 2/20 0.43
XBP1 P17861 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
ALPG P10696 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
STAT3 P40763 1/20 0.41
RELA Q04206 1/20 0.39
CXCL12 P48061 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
SCHEMBL3690634 1.00 MAPT (0.43) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL3686571 0.88 MAPT (0.47) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL3687806 0.88 MAPT (0.47) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL3694293 0.87 MAOB (0.43) MAPTMEN1KMT2ATDP1HSP90AA1
SCHEMBL3697640 0.87 MAOB (0.43) MAPTMEN1KMT2ATDP1HSP90AA1
SCHEMBL3688003 0.83 MAOB (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3683356 0.83 MAOB (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3687211 0.79 LMNA (0.46) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL3686655 0.78 CXCL12 (0.52) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3690691 0.78 CXCL12 (0.52) MAPTMEN1KMT2AALDH1A1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed