SCHEMBL28518697

SCHEMBL28518697

COONCc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PYCR1 P32322 1/20 0.46
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
AGER Q15109 1/20 0.40
HTR2A P28223 1/20 0.40
IDO1 P14902 2/20 0.39
TGM2 P21980 1/20 0.38

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
SCHEMBL6492992 0.79 ALDH1A1 (0.53) MEN1KMT2ANPC1GAAMAPT
SCHEMBL7955870 0.78 SIGMAR1 (0.50) MEN1KMT2AMAPTL3MBTL1IDO1
SCHEMBL12605293 0.78 CYP1A2 (0.44) MEN1KMT2ANPC1GAAMAPT
SCHEMBL16302331 0.75 CYP1A2 (0.42) MEN1KMT2ANPC1GAAMAPT
SCHEMBL596900 0.70 TAAR1 (0.60) MEN1KMT2ANPC1GAAMAPT
SCHEMBL2548456 0.70 PYCR1 (0.48) MEN1KMT2ANPC1GAAMAPT
SCHEMBL8151807 0.69 PYCR1 (0.64) MEN1KMT2ANPC1GAAMAPT
Hydrochloric Acid SCHEMBL8153066 0.69 MAPT (0.58) MEN1KMT2ANPC1GAAMAPT
SCHEMBL1241301 0.68 L3MBTL1 (0.62) MEN1KMT2ANPC1GAAMAPT
SCHEMBL2755804 0.68 TSHR (0.59) MEN1KMT2AGAAL3MBTL1LMNA

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-112292129-A Novel compounds and pharmaceutical compositions thereof for the treatment of diseases 加拉帕戈斯股份有限公司 2021-01-29 CN disclosed