SCHEMBL29064935

SCHEMBL29064935

CC(=O)N(C(C)=O)c1nc(Cl)cc(C2=CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EZH2 Q15910 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ATR Q13535 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PSMB5 P28074 4/20 0.31
TBK1 Q9UHD2 1/20 0.31
TYMP P19971 1/20 0.31
PSMB1 P20618 1/20 0.30

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
SCHEMBL30295725 1.00 TDP1 (0.36) TDP1NPC1RAB9AEZH2CASP3
SCHEMBL25166373 0.74 TDP1 (0.45) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL29064919 0.71 HSP90AB1 (0.45) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL25166338 0.71 TDP1 (0.40) TDP1NPC1RAB9AEZH2CASP3
SCHEMBL3205153 0.70 HSP90AB1 (0.44) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL25166327 0.65 TDP1 (0.40) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL19531950 0.63 TDP1 (0.37) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL19531947 0.63 TDP1 (0.37) TDP1NPC1RAB9ACASP3SENP8
SCHEMBL11418288 0.63 ALDH1A1 (0.46) TDP1NPC1RAB9AACMSD
SCHEMBL25729525 0.61 TDP1 (0.45) TDP1NPC1RAB9ACASP3SENP8

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed