SCHEMBL3689620

SCHEMBL3689620

Cc1cc(C)cc(-c2ccc(N(C)CCN(C)C)c(C(=O)/C=C/c3cccc(NCCN(C)C)c3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
HDAC4 P56524 3/20 0.35
MEF2D Q14814 3/20 0.35
PIM2 Q9P1W9 2/20 0.35
HCRTR2 O43614 1/20 0.34
MCHR1 Q99705 2/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3697631 1.00 SYK (0.39) SYKHDAC4MEF2DPIM2HCRTR2
SCHEMBL4852884 0.84 SYK (0.45) SYKHCRTR2MAOB
SCHEMBL4854769 0.84 SYK (0.45) SYKHCRTR2MAOB
SCHEMBL3689622 0.82 HCRTR2 (0.38) SYKHCRTR2NOS1NOS2MEN1
SCHEMBL3691571 0.82 HDAC1 (0.47) SYKHDAC4PIM2MEN1KMT2A
SCHEMBL3686566 0.82 HDAC1 (0.47) SYKHDAC4PIM2MEN1KMT2A
SCHEMBL3693761 0.82 HDAC4 (0.40) SYKHDAC4MEF2DPIM2HCRTR2
SCHEMBL3691487 0.82 HDAC4 (0.40) SYKHDAC4MEF2DPIM2HCRTR2
SCHEMBL4847745 0.73 SYK (0.47) SYKMCHR1MAOB
SCHEMBL4853606 0.73 SYK (0.47) SYKMCHR1MAOB

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