SCHEMBL8430304

SCHEMBL8430304

O=[N+]([O-])c1ccc2c(c1)C(Cc1nnn[nH]1)=CC2=Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AMY1A P0DUB6 1/20 0.35
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPBWR1 P48145 4/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 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 0.86 RXRA (0.33)
SCHEMBL8430238 0.83 MAOA (0.36) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL8430226 0.83 PPARG (0.39)
SCHEMBL8432051 0.80 PPARG (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8428278 0.79 AMY1A (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11763877 0.70 PTPRC (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8430303 0.67 MEN1 (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4836695 0.65 POLB (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4605520 0.64 TSHR (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2738746 0.63 CYP3A4 (0.47) MAPTMEN1KMT2ALMNAALDH1A1

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