SCHEMBL8432304

SCHEMBL8432304

COc1ccc2c(c1)C(CC#N)=C(C)C2=Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38
NFE2L2 Q16236 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
RELA Q04206 1/20 0.38
MAOB P27338 2/20 0.37
XDH P47989 2/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 1/20 0.35

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 0.82 RXRA (0.43) MAPTPPARGABCG2MAOBMEN1
SCHEMBL8428198 0.81 PPARG (0.50) MAPTPPARGRELAMAOBXDH
SCHEMBL8428249 0.77 MEN1 (0.35) ARMAPTMAPK1TDP1L3MBTL1
SCHEMBL8432124 0.76 MAOB (0.45) MAPTMAPK1L3MBTL1PPARGMAOB
SCHEMBL8428246 0.75 RXRA (0.48) MAPTMAPK1TDP1PPARGMEN1
SCHEMBL8432058 0.72 PPARG (0.40) MAPTMAPK1TDP1PPARGEGFR
SCHEMBL8155195 0.69 PPARG (0.52) MAPTPPARGMAOBMEN1KMT2A
SCHEMBL8155194 0.69 PPARG (0.52) MAPTPPARGMAOBMEN1KMT2A
SCHEMBL8154646 0.68 RXRA (0.44) MAPTPPARGABCG2MAOBMEN1
SCHEMBL8154649 0.68 RXRA (0.44) MAPTPPARGABCG2MAOBMEN1

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