SCHEMBL25002897

SCHEMBL25002897

COC(=O)c1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
CNR2 P34972 4/20 0.54
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CTSA P10619 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL483444 0.86 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL1260197 0.85 ALDH1A1 (0.52) SMN1; SMN2RAB9ACNR2ALDH1A1KDM4E
SCHEMBL4592907 0.85 CNR2 (0.65) CNR2SLC6A3CNR1
SCHEMBL18439000 0.84 CNR2 (0.51) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11158237 0.84 SCN10A (0.45) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11297183 0.84 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9ASLC6A4
SCHEMBL25002929 0.84 ADORA3 (0.52) MAPTSMN1; SMN2NPC1RAB9ACTSA
SCHEMBL4436292 0.84 NOTUM (0.57) MAPTSMN1; SMN2NPC1RAB9ACNR2
SCHEMBL23037197 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL29595815 0.83 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9ATP53

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-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed