SCHEMBL29119375

SCHEMBL29119375

C=C(C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
LMNA P02545 2/20 0.57
NOTUM Q6P988 2/20 0.51
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
CREBBP Q92793 4/20 0.47
OGG1 O15527 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
SCHEMBL30655691 1.00 TP53 (0.57) TP53LMNANOTUMRAB9ATDP1
SCHEMBL1950238 0.80 TP53 (0.65) TP53LMNANOTUMRAB9ANPC1
SCHEMBL29119371 0.80 TP53 (0.56) TP53LMNANOTUMTDP1
SCHEMBL30655831 0.80 TP53 (0.56) TP53LMNANOTUMTDP1
SCHEMBL3082421 0.75 NOTUM (0.62) TP53LMNANOTUMTDP1CREBBP
SCHEMBL4425080 0.74 CREBBP (0.80) TP53LMNARAB9ACREBBP
SCHEMBL25753364 0.72 TDP1 (0.57) TP53LMNANOTUMRAB9ATDP1
SCHEMBL29119389 0.71 TP53 (0.47) TP53LMNANOTUMRAB9A
SCHEMBL14590655 0.71 NOTUM (0.61) TP53LMNANOTUMRAB9ATDP1
SCHEMBL8792645 0.71 NOTUM (0.56) TP53LMNANOTUMTDP1

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
CN-117219278-A Schizophrenia aggressive behavior risk assessment model and application thereof 福建省立医院 2023-12-12 CN claimed
CN-117219278-A Schizophrenia aggressive behavior risk assessment model and application thereof 福建省立医院 2023-12-12 CN disclosed
CN-117191993-A Metabolic biomarker for aggressive behavior of schizophrenia and screening method thereof 郑富豪 2023-12-08 CN disclosed
CN-117191993-A Metabolic biomarker for aggressive behavior of schizophrenia and screening method thereof 郑富豪 2023-12-08 CN disclosed