SCHEMBL31490959

SCHEMBL31490959

Cc1cccc2c(SC#N)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
BRPF1 P55201 1/20 0.45
HTR2A P28223 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR4A2 P43354 1/20 0.42
SOS2 Q07890 1/20 0.42
AHR P35869 1/20 0.37
DYRK1A Q13627 2/20 0.37
PCSK9 Q8NBP7 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL10679228 0.80 HTR2A (0.44) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL5731961 0.79 TRIM24 (0.51) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL31490952 0.74 DNA2 (0.49) MAPTSMN1; SMN2NPSR1DYRK1A
SCHEMBL27708667 0.74 DYRK1A (0.66) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL28151071 0.73 AR (0.47) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL31228753 0.73 GPR84 (0.49) HTR2AMAPTKIF11
SCHEMBL31607554 0.72 TRIM24 (0.60) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL2143637 0.72 TRIM24 (0.60) ARTRIM24TRIM33BRPF1HTR2A
SCHEMBL16789820 0.72 TUBB4A (0.55) MAPTAHR
SCHEMBL10682656 0.71 HTR2A (0.56) ARTRIM24TRIM33BRPF1HTR2A

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-119823020-A Preparation method of 3-thiocyanatoindole derivative 常州工程职业技术学院 2025-04-15 CN disclosed