SCHEMBL8430717

SCHEMBL8430717

CC1=C(Cc2nnn[nH]2)c2cc(C)ccc2C1=Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.39
PPARG P37231 7/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 4/20 0.33
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
PTGS2 P35354 2/20 0.33
EGFR P00533 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD1 P21728 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL8430782 0.89 RXRA (0.38) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL8428613 0.89 RXRA (0.37) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL8428373 0.88 RXRA (0.39) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL8431725 0.88 RXRA (0.36) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL8428278 0.85 AMY1A (0.42) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL18255113 0.80 RXRA (0.56) RXRAPPARGEGFR
SCHEMBL8430226 0.78 PPARG (0.39) RXRAPPARGPTGS1
SCHEMBL8432133 0.77 PPARG (0.45) RXRAPPARGKMT2AMEN1MAPT
SCHEMBL8428468 0.76 MEN1 (0.39) RXRAKMT2AMEN1MAPTCYP1A2
SCHEMBL8430200 0.76 MAOB (0.40) RXRAPPARGKMT2AMEN1MAPT

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