SCHEMBL3686086

SCHEMBL3686086

CCN(CC)c1ccc(C(=O)/C=C/c2ccc(N(C)CCN(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
MAPK1 P28482 2/20 0.68
TLR9 Q9NR96 2/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
USP2 O75604 1/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
RECQL P46063 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
NPSR1 Q6W5P4 1/20 0.56
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MAOB P27338 2/20 0.52
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL3694987 1.00 MAPT (0.68) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL3686088 1.00 MAPT (0.68) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL2909651 0.88 MAPT (0.86) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL2909650 0.88 MAPT (0.86) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL3684185 0.86 TNFRSF1A (0.63) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL3693367 0.86 TNFRSF1A (0.63) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL3684551 0.86 MAOB (0.59) MAPTTLR9KMT2ACRHBPCRHR2
SCHEMBL3684182 0.86 TNFRSF1A (0.63) MAPTMAPK1TLR9KMT2AMEN1
SCHEMBL3688379 0.86 MAOB (0.59) MAPTTLR9KMT2ACRHBPCRHR2
SCHEMBL3684549 0.86 MAOB (0.59) MAPTTLR9KMT2ACRHBPCRHR2

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 2 patents. 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
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed