SCHEMBL8428736

SCHEMBL8428736

CC1=C(CC#N)c2cc(N(C)C)ccc2C1=Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
MAPT P10636 8/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 6/20 0.36
APP P05067 4/20 0.36
SNCA P37840 4/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 3/20 0.34
PTGS2 P35354 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP26A1 O43174 1/20 0.34
MIF P14174 1/20 0.34
EGFR P00533 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 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) PPARGMAPTALDH1A1RXRACYP1A2
SCHEMBL8432108 0.85 RXRA (0.51) PPARGMAPTALDH1A1GAARXRA
SCHEMBL8430314 0.83 PPARG (0.39) PPARGMAPTALDH1A1RXRACYP1A2
SCHEMBL8432124 0.82 MAOB (0.45) PPARGMAPTALDH1A1GAARXRA
SCHEMBL8428259 0.81 PPARG (0.38) PPARGMAPTALDH1A1RXRACYP1A2
SCHEMBL8430723 0.81 RXRA (0.43) PPARGMAPTGAARXRAMAOB
SCHEMBL8431832 0.80 AMY1A (0.43) PPARGMAPTALDH1A1GAARXRA
SCHEMBL8432651 0.78 MAPT (0.32) MAPTALDH1A1GAARXRAAPP
SCHEMBL11761278 0.77 PDGFRB (0.34) PPARGMAPTALDH1A1RXRAAPP
SCHEMBL8431725 0.76 RXRA (0.36) PPARGMAPTALDH1A1RXRAAPP

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