SCHEMBL29213635

SCHEMBL29213635

O=Cc1c(Cl)cc(-c2ccccc2)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.42
AHR P35869 2/20 0.41
RAB9A P51151 1/20 0.41
ACLY P53396 2/20 0.37
NR1H2 P55055 1/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
CSNK2A1 P68400 2/20 0.36
HSP90AA1 P07900 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL4276345 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP2A6RAB9A
SCHEMBL27912021 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1CYP2A6
SCHEMBL2041747 0.76 MEN1 (0.35) MEN1KMT2AALDH1A1TDP1CYP2A6
SCHEMBL404196 0.76 AHR (0.68) MEN1KMT2ACYP2A6AHRNR1H2
SCHEMBL29422942 0.76 AHR (0.68) MEN1KMT2ACYP2A6AHRNR1H2
SCHEMBL28009932 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1TDP1CYP2A6
SCHEMBL10596187 0.74 AHR (0.65) MEN1KMT2ACYP2A6AHRNR1H2
Methane SCHEMBL27372843 0.74 AHR (0.65) MEN1KMT2ACYP2A6AHRNR1H2
Water SCHEMBL11700413 0.74 AHR (0.65) MEN1KMT2ACYP2A6AHRNR1H2
SCHEMBL4600429 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1TDP1CYP2A6

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
CN-117820303-A Tetrahydroacridine-9 carboxylic acid derivative and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed