SCHEMBL25308786

SCHEMBL25308786

Cc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TP53 P04637 2/20 0.57
RAF1 P04049 5/20 0.56
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
BRAF P15056 4/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL25262291 0.91 ABL1 (0.49) MAPTTP53RAF1ABL1BCR
SCHEMBL25309227 0.91 MAPT (0.58) MAPTTP53RAF1NPC1RAB9A
SCHEMBL25306725 0.90 MAPT (0.53) MAPTTP53RAF1RAB9AHDAC3
SCHEMBL25856271 0.84 RAF1 (0.56) MAPTTP53RAF1BRAFROCK1
SCHEMBL29033904 0.81 RAF1 (0.57) RAF1BRAFPRKD1
SCHEMBL25307234 0.77 MAPT (0.48) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL25306854 0.77 MAPT (0.57) MAPTTP53NPC1RAB9AHDAC3
SCHEMBL25856348 0.74 MAPT (0.48) MAPTTP53RAF1NPC1RAB9A
SCHEMBL25308935 0.73 MAPT (0.67) MAPTTP53NPC1RAB9AHDAC3
SCHEMBL25263437 0.73 MAPT (0.52) MAPTTP53NPC1RAB9AHDAC3

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