SCHEMBL30459563

SCHEMBL30459563

O=C(Nc1cnccn1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 11/20 0.63
KMT2A Q03164 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GRM4 Q14833 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL14742362 1.00 KMO (0.63) KMOKMT2ASIRT2KDM4EGRM4
SCHEMBL30429075 0.85 KMO (0.60) KMOKMT2ASIRT2KDM4EPOLB
SCHEMBL1940169 0.85 KMO (0.60) KMOKMT2ASIRT2KDM4EPOLB
SCHEMBL30429175 0.84 KMO (0.72) KMOKMT2ASIRT2GRM4RAB9A
SCHEMBL1939010 0.84 KMO (0.72) KMOKMT2ASIRT2GRM4RAB9A
SCHEMBL1937820 0.82 KMO (0.76) KMOGRM4MAPTRAB9A
SCHEMBL30459265 0.81 KMO (0.79) KMOKMT2AGRM4POLB
SCHEMBL1938295 0.81 KMO (0.79) KMOKMT2AGRM4POLB
SCHEMBL1938796 0.81 KMO (0.75) KMOGRM4
SCHEMBL30429642 0.81 KMO (0.75) KMOGRM4

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