SCHEMBL8428249

SCHEMBL8428249

COc1ccc2c(c1)C(Cc1nnn[nH]1)=C(C)C2=Cc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
AR P10275 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
NFE2L2 Q16236 3/20 0.33
RELA Q04206 1/20 0.33
MAOB P27338 2/20 0.33
MDM2 Q00987 2/20 0.32
XDH P47989 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.31
APAF1 O14727 1/20 0.31

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 0.84 RXRA (0.39) MEN1ALOX15KMT2APPARGMDM2
SCHEMBL8432133 0.84 PPARG (0.45) MEN1KMT2APPARGRELAMDM2
SCHEMBL8430200 0.79 MAOB (0.40) MEN1KMT2APPARGMAOBMAPT
SCHEMBL8428313 0.78 RXRA (0.46) PPARGMAOB
SCHEMBL8428469 0.78 RXRA (0.49) PPARGMAPTMAPK1TDP1EGFR
SCHEMBL8428330 0.78 RXRA (0.48) PPARGMAOB
SCHEMBL8432304 0.77 AR (0.40) MEN1ALOX15KMT2APPARGABCG2
SCHEMBL8428468 0.74 MEN1 (0.39) MEN1ALOX15KMT2AMDM2MAPT
SCHEMBL25305589 0.72 RXRA (0.46) PPARGALDH1A1
SCHEMBL8430717 0.72 RXRA (0.39) MEN1KMT2APPARGMDM2MAPT

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