SCHEMBL31296531

SCHEMBL31296531

O=C(COC1c2ccccc2-c2ccccc21)N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 2/20 0.33
CACNA1G O43497 1/20 0.32
GAA P10253 1/20 0.32
PPIA P62937 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23290956 1.00 POLB (0.36) POLBMAPTTSHRKMT2AHDAC3
SCHEMBL9396561 0.75 CYP1A2 (0.46) POLBMAPTTSHRKMT2AHDAC3
SCHEMBL16328281 0.74 POLB (0.50) POLBMAPTTSHRKMT2AHDAC3
SCHEMBL12401091 0.70 ALDH1A1 (0.48) POLBMAPTTSHRKMT2AHDAC3
SCHEMBL23730549 0.70 POLB (0.42) POLBMAPTTSHRKMT2AHDAC3
SCHEMBL248995 0.70 KMT2A (0.48) KMT2A
SCHEMBL5824559 0.69 ALOX15 (0.55) MAPTKMT2AGAAMEN1
SCHEMBL9396604 0.69 CYP1A2 (0.54) POLBMAPTTSHRCYP1A2GAA
SCHEMBL4126150 0.67 MAPT (0.41) MAPTTSHRKMT2AHDAC3HDAC4
SCHEMBL895388 0.66 HTR2A (0.38) POLBMAPTTSHRKMT2AHDAC3

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-112805280-B Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-12-06 CN disclosed