SCHEMBL8430200

SCHEMBL8430200

COc1ccc2c(c1)C(Cc1nnn[nH]1)=C(C)C2=Cc1ccc(N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
PPARG P37231 1/20 0.36
MAPT P10636 7/20 0.36
APP P05067 5/20 0.36
SNCA P37840 3/20 0.36
RXRA P19793 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LCK P06239 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL8428373 0.88 RXRA (0.39) PPARGMAPTRXRAMEN1KMT2A
SCHEMBL8428313 0.86 RXRA (0.46) MAOBPPARGRXRALCK
SCHEMBL8428469 0.86 RXRA (0.49) PPARGMAPTRXRAMAPK1LCK
SCHEMBL8431725 0.84 RXRA (0.36) PPARGMAPTAPPSNCARXRA
SCHEMBL8432133 0.82 PPARG (0.45) PPARGMAPTRXRAMEN1KMT2A
SCHEMBL8428330 0.80 RXRA (0.48) MAOBMAOAPPARGRXRA
SCHEMBL8428249 0.79 MEN1 (0.35) MAOBPPARGMAPTMEN1KMT2A
SCHEMBL8428468 0.78 MEN1 (0.39) MAPTRXRAMEN1KMT2AMAPK1
SCHEMBL19862422 0.77 PPARG (0.60) MAOBMAOAPPARGMAPTRXRA
SCHEMBL21805849 0.77 PPARG (0.60) MAOBMAOAPPARGMAPTRXRA

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