SCHEMBL8428613

SCHEMBL8428613

CNc1ccc2c(c1)C(Cc1nnn[nH]1)=C(C)C2=Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.37
PPARG P37231 5/20 0.34
LRRK2 Q5S007 2/20 0.34
MAPT P10636 4/20 0.34
APP P05067 1/20 0.34
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
HTR6 P50406 1/20 0.32
CYP1A2 P05177 3/20 0.31
MAPK1 P28482 3/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
PTGS2 P35354 2/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL8430717 0.89 RXRA (0.39) RXRAPPARGMAPTCYP1A2MAPK1
SCHEMBL8430782 0.87 RXRA (0.38) RXRAPPARGMAPTCYP1A2MAPK1
SCHEMBL8428373 0.85 RXRA (0.39) RXRAPPARGMAPTCYP1A2MAPK1
SCHEMBL8431725 0.85 RXRA (0.36) RXRAPPARGMAPTAPPCYP1A2
SCHEMBL8428278 0.82 AMY1A (0.42) RXRAPPARGMAPTKMT2ANPSR1
SCHEMBL8428259 0.76 PPARG (0.38) RXRAPPARGLRRK2MAPTCSNK2A2
SCHEMBL8432133 0.75 PPARG (0.45) RXRAPPARGMAPTEGFRKMT2A
SCHEMBL8428468 0.74 MEN1 (0.39) RXRALRRK2MAPTCYP1A2MAPK1
SCHEMBL8430200 0.73 MAOB (0.40) RXRAPPARGMAPTAPPMAPK1
SCHEMBL8428338 0.73 RXRA (0.36) RXRALRRK2KMT2AMEN1

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