SCHEMBL8428259

SCHEMBL8428259

CNc1ccc2c(c1)C(CC#N)=C(C)C2=Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
RXRA P19793 7/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
CYP1A2 P05177 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 3/20 0.34
PTGS2 P35354 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
EGFR P00533 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL8432071 0.85 PPARG (0.41) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8430314 0.83 PPARG (0.39) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8430723 0.81 RXRA (0.43) PPARGRXRAMAPTKMT2AMEN1
SCHEMBL8428736 0.81 PPARG (0.38) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8431832 0.80 AMY1A (0.43) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8428613 0.76 RXRA (0.37) PPARGRXRACSNK2A2CSNK2BCSNK2A1
SCHEMBL28404113 0.70 PPARG (0.69) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8428198 0.70 PPARG (0.50) PPARGRXRAMAPTEGFRKMT2A
SCHEMBL8432124 0.68 MAOB (0.45) PPARGRXRAMAPTMAPK1KMT2A
SCHEMBL9141364 0.68 PPARG (0.64) PPARGRXRACYP1A2MAPTMAPK1

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