SCHEMBL30429075

SCHEMBL30429075

O=C(Nc1cnccn1)c1cc(-c2cccc(Cl)c2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.60
KMT2A Q03164 3/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 2/20 0.55
CNR2 P34972 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GRM5 P41594 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL1940169 1.00 KMO (0.60) KMOKMT2APOLBMEN1CNR2
SCHEMBL30459341 0.86 CNR2 (0.72) KMOKMT2AMEN1CNR2SIRT2
SCHEMBL1937298 0.86 CNR2 (0.72) KMOKMT2AMEN1CNR2SIRT2
SCHEMBL30459563 0.85 KMO (0.63) KMOKMT2APOLBSIRT2KDM4E
SCHEMBL14742362 0.85 KMO (0.63) KMOKMT2APOLBSIRT2KDM4E
SCHEMBL1938689 0.84 MAPT (0.64) KMOKMT2APOLBMEN1CNR2
Hydrochloric Acid SCHEMBL1937303 0.83 MAPT (0.62) KMOKMT2APOLBMEN1CNR2
SCHEMBL1939325 0.82 KMO (0.64) KMOKMT2APOLBCNR2MAPT
SCHEMBL1938480 0.82 KMO (0.64) KMOKMT2APOLBMEN1CNR2
SCHEMBL30429437 0.82 KMO (0.64) KMOKMT2APOLBCNR2MAPT

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 2 patents. 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
EP-4192819-A1 HETEROBIARYL COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2023-06-14 EP disclosed