SCHEMBL8430247

SCHEMBL8430247

Clc1ccc(C=C2C=C(Cc3nnn[nH]3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
PPARG P37231 10/20 0.32
PTGS1 P23219 2/20 0.32
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL8430226 0.91 PPARG (0.39) RXRAPPARGPTGS1
SCHEMBL8430238 0.91 MAOA (0.36) RXRAPPARGPTGS1PSEN1PSEN2
SCHEMBL8432051 0.88 PPARG (0.41) RXRAPPARG
SCHEMBL8430304 0.86 MAPT (0.36)
SCHEMBL25305567 0.74 HTR6 (0.38) PPARGPTGS1
SCHEMBL25308302 0.70 HTR6 (0.36) PPARGPTGS1
SCHEMBL8428613 0.68 RXRA (0.37) RXRAPPARGPTGS1PSEN1PSEN2
SCHEMBL8430782 0.67 RXRA (0.38) RXRAPPARGPTGS1PSEN1PSEN2
SCHEMBL6505678 0.67 NR1H2 (0.41)
SCHEMBL8428373 0.66 RXRA (0.39) RXRAPPARG

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