SCHEMBL8430238

SCHEMBL8430238

Oc1ccc2c(c1)C(Cc1nnn[nH]1)=CC2=Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
RXRA P19793 2/20 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
LRRK2 Q5S007 1/20 0.33
PPARG P37231 11/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL8430247 0.91 RXRA (0.33) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL8430226 0.87 PPARG (0.39) RXRAPPARGPTGS1
SCHEMBL8432051 0.84 PPARG (0.41) RXRAPPARGMEN1CYP1A2CYP3A4
SCHEMBL8430304 0.83 MAPT (0.36) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL8430717 0.67 RXRA (0.39) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL8430782 0.66 RXRA (0.38) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL8428613 0.65 RXRA (0.37) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL8431725 0.65 RXRA (0.36) RXRAPSEN1PSEN2APH1BNCSTN
SCHEMBL8428373 0.65 RXRA (0.39) RXRAPPARGMEN1CYP1A2CYP3A4
SCHEMBL8428468 0.64 MEN1 (0.39) RXRAPSEN1PSEN2APH1BNCSTN

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