SCHEMBL8431908

SCHEMBL8431908

COc1ccc2c(c1)C(C#N)=C(C)C2=Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.38
MDM2 Q00987 2/20 0.38
PIM1 P11309 1/20 0.36
RXRA P19793 1/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
AHR P35869 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOB P27338 1/20 0.35
ABCG2 Q9UNQ0 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) LCKRXRAMAPTPRKACAPRKACG
SCHEMBL8432527 0.81 LCK (0.38) LCKMDM2RXRAEGFRMAPT
SCHEMBL11766747 0.81 MDM2 (0.39) LCKMDM2RXRAPSEN1PSEN2
SCHEMBL8154649 0.79 RXRA (0.44) LCKMDM2RXRAMAPTPRKACA
SCHEMBL8154646 0.79 RXRA (0.44) LCKMDM2RXRAMAPTPRKACA
SCHEMBL11765110 0.77 RXRA (0.47) LCKRXRAMAPTHTTAHR
SCHEMBL10667396 0.76 USP8 (0.45) PIM1MAPT
SCHEMBL11765230 0.75 LCK (0.40) LCKPIM1RXRAEGFRMAPT
SCHEMBL11765142 0.75 PPARG (0.46) LCKRXRAEGFRMAPTPSEN1
SCHEMBL11770652 0.75 RXRA (0.53) RXRAMAPTPSEN1PSEN2APH1B

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