SCHEMBL23409377

SCHEMBL23409377

O=C1CCC[C@H](c2cccc3cccc(Br)c23)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
IKBKB O14920 1/20 0.34
BRD4 O60885 1/20 0.33
ESR2 Q92731 1/20 0.33
PDE7A Q13946 2/20 0.32
PDE7B Q9NP56 2/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.31
TP53 P04637 1/20 0.31
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
MTNR1A P48039 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL23447200 1.00 MAPT (0.38) MAPTMEN1KMT2AGAAIKBKB
SCHEMBL25178039 0.79 MEN1 (0.41) MEN1KMT2AGAA
SCHEMBL24536430 0.77 MEN1 (0.44) MEN1KMT2AGAABRD4
SCHEMBL17996703 0.77 MTNR1A (0.53) MAPTGAAIKBKBTP53MAPK1
SCHEMBL29903185 0.75 BRD4 (0.35) MEN1KMT2AGAABRD4MAP1LC3B
SCHEMBL23409365 0.71 ALDH1A1 (0.34) MAPTMEN1KMT2AGAABRD4
SCHEMBL29903175 0.71 ALDH1A1 (0.34) MAPTMEN1KMT2AGAABRD4
SCHEMBL3241051 0.70 TP53 (0.64) MAPTGAAIKBKBTP53RECQL
SCHEMBL28608577 0.70 HTR2C (0.47) MAPTIKBKBMAP1LC3BTP53RECQL
SCHEMBL21733468 0.70 HTR1A (0.44) MAPTIKBKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065583-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
WO-2021106231-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed
WO-2021107160-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-03 WO disclosed