SCHEMBL30459286

SCHEMBL30459286

COC(=O)c1cc(-c2ccc(OC)c(Cl)c2)ncn1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMO O15229 19/20 0.79
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL1938473 1.00 KMO (0.79) KMOKDM1AHDAC1
SCHEMBL18058379 0.90 KMO (0.79) KMO
SCHEMBL30459255 0.88 KMO (0.81) KMO
SCHEMBL24243087 0.88 KMO (0.81) KMO
SCHEMBL1938425 0.88 KMO (1.00) KMO
SCHEMBL1938700 0.88 KMO (0.69) KMO
SCHEMBL22777677 0.87 KMO (0.60) KMO
SCHEMBL14742287 0.87 KMO (0.77) KMO
Lithium Ion SCHEMBL25273615 0.86 KMO (0.95) KMO
SCHEMBL18650767 0.86 KMO (0.77) KMO

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-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN disclosed