SCHEMBL30459427

SCHEMBL30459427

COC(=O)c1cc(-c2cccc(Cl)c2)ncn1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 14/20 0.70
SLC6A3 Q01959 4/20 0.48
CNR2 P34972 1/20 0.47
SLC6A2 P23975 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 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
SCHEMBL1938336 1.00 KMO (0.70) KMOSLC6A3CNR2SLC6A2JAK2
SCHEMBL25263065 0.95 KMO (0.64) KMOSLC6A3CNR2SLC6A2JAK2
SCHEMBL25224968 0.95 KMO (0.80) KMO
SCHEMBL1938367 0.85 KMO (0.67) KMO
SCHEMBL1938479 0.84 KMO (0.72) KMOJAK2JAK3
SCHEMBL14742247 0.84 KMO (0.76) KMO
SCHEMBL1938372 0.84 KMO (0.68) KMO
SCHEMBL1939271 0.83 KMO (0.70) KMOCNR2
SCHEMBL1937823 0.83 SMN1; SMN2 (0.56) KMO
SCHEMBL1938969 0.83 KMO (0.70) KMOJAK2JAK3

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