SCHEMBL8432124

SCHEMBL8432124

COc1ccc2c(c1)C(CC#N)=C(C)C2=Cc1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
MAPT P10636 6/20 0.41
APP P05067 5/20 0.41
SNCA P37840 4/20 0.41
PPARG P37231 2/20 0.40
RXRA P19793 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL8430723 0.86 RXRA (0.43) MAOBMAPTPPARGRXRAGAA
SCHEMBL8428246 0.83 RXRA (0.48) MAPTPPARGRXRAALDH1A1MEN1
SCHEMBL19862422 0.82 PPARG (0.60) MAOBMAOAMAPTPPARGRXRA
SCHEMBL21805849 0.82 PPARG (0.60) MAOBMAOAMAPTPPARGRXRA
SCHEMBL8428736 0.82 PPARG (0.38) MAOBMAOAMAPTAPPSNCA
SCHEMBL8432058 0.81 PPARG (0.40) MAPTPPARGRXRAMAPK1LCK
SCHEMBL8428198 0.79 PPARG (0.50) MAOBMAOAMAPTPPARGRXRA
SCHEMBL8432108 0.79 RXRA (0.51) MAPTAPPSNCAPPARGRXRA
SCHEMBL17847838 0.77 RXRA (0.46) MAOBMAOAMAPTAPPSNCA
SCHEMBL17847842 0.77 RXRA (0.46) MAOBMAOAMAPTAPPSNCA

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-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed