SCHEMBL3682205

SCHEMBL3682205

COc1ccc(/C=C/C(=O)c2ccccc2N(C)CCN(C)C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
PTPN1 P18031 2/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL3686915 1.00 MAOB (0.46) MAOBPTPN1MAPTALDH1A1NPC1
SCHEMBL3690295 0.88 MAPT (0.60) PTPN1MAPTALDH1A1NPC1RAB9A
SCHEMBL3682208 0.88 LMNA (0.50) MAOBPTPN1MAPTALDH1A1NPC1
SCHEMBL3695219 0.86 PDE4A (0.59) MAOBPTPN1MAPTSMN1; SMN2LMNA
SCHEMBL5915550 0.84 MAOB (0.47) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL5915541 0.84 MAOB (0.47) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL4854910 0.82 MAPT (0.49) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL4849955 0.82 MAPT (0.49) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL3696884 0.82 MAOB (0.60) MAOBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5915793 0.82 MAOB (0.49) MAOBMAPTALDH1A1NPC1RAB9A

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