SCHEMBL25307234

SCHEMBL25307234

Nc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(O)c4)[nH]n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TP53 P04637 2/20 0.48
ESRRG P62508 1/20 0.47
NME4 O00746 1/20 0.46
GCDH Q92947 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PTAFR P25105 1/20 0.45
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MCHR1 Q99705 1/20 0.43
PRKD1 Q15139 4/20 0.42
FYN P06241 1/20 0.42
ITK Q08881 1/20 0.42

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
SCHEMBL25263437 0.90 MAPT (0.52) MAPTTP53ESRRGNME4GCDH
SCHEMBL25262291 0.87 ABL1 (0.49) MAPTTP53ESRRGCA1CA2
SCHEMBL25305249 0.85 MAPT (0.65) MAPTTP53ESRRGNME4GCDH
SCHEMBL25306854 0.84 MAPT (0.57) MAPTTP53ESRRGNME4GCDH
SCHEMBL25309254 0.82 MAPT (0.53) MAPTTP53ESRRGMEN1KMT2A
SCHEMBL25308935 0.80 MAPT (0.67) MAPTTP53ESRRGNME4GCDH
SCHEMBL25309227 0.77 MAPT (0.58) MAPTTP53MCHR1NPC1CYP1A2
SCHEMBL25308786 0.77 MAPT (0.57) MAPTTP53PRKD1NPC1RAB9A
SCHEMBL25307575 0.77 MAPT (0.54) MAPTTP53NME4GCDHSIRT5
SCHEMBL25308366 0.77 RAB9A (0.55) MAPTTP53ESRRGNME4GCDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed
CN-114394934-B Pyrazole benzamide compound as well as preparation method and application thereof 苏州大学 2023-06-13 CN disclosed
CN-114394934-A Pyrazole benzamide compound and preparation method and application thereof 苏州大学 2022-04-26 CN disclosed