SCHEMBL25856271

SCHEMBL25856271

Cc1ccc(CCNCc2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.56
PRKD1 Q15139 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
PARP1 P09874 2/20 0.44
BRAF P15056 3/20 0.43
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL25856348 0.89 MAPT (0.48) RAF1PRKD1MAPTTP53PARP1
SCHEMBL25308786 0.84 MAPT (0.57) RAF1PRKD1MAPTTP53PARP1
SCHEMBL9958168 0.77 KDM4E (0.59) MAPTTP53PARP1KDM4ETDP1
SCHEMBL25309227 0.74 MAPT (0.58) RAF1MAPTTP53PARP1
SCHEMBL25262291 0.74 ABL1 (0.49) RAF1PRKD1MAPTTP53PARP1
SCHEMBL25306725 0.74 MAPT (0.53) RAF1MAPTTP53KDM4EROCK1
SCHEMBL10887525 0.72 MAPT (0.54) MAPTTP53
SCHEMBL29033904 0.71 RAF1 (0.57) RAF1PRKD1BRAF
SCHEMBL25856272 0.69 MAPT (0.50) PRKD1MAPTTP53TDP1
SCHEMBL31660247 0.69 APP (0.60) RAF1MAPTTP53KDM4E

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
WO-2023130540-A1 PYRAZOL BENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州大学 2023-07-13 WO disclosed