SCHEMBL31490952

SCHEMBL31490952

N#CSc1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.49
CASP6 P55212 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
CLK1 P49759 2/20 0.46
DYRK1A Q13627 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
PARP1 P09874 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL3065948 0.78 DYRK1A (0.57) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL31490965 0.77 CLK1 (0.41) CLK1TDP1MAPTNPC1L3MBTL1
SCHEMBL29236598 0.75 DNA2 (0.56) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL260336 0.74 ALDH1A1 (0.56) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL31490959 0.74 AR (0.47) DYRK1AMAPTSMN1; SMN2NPSR1
SCHEMBL9626333 0.73 PDE7A (0.51) TDP1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL1354534 0.72 GPR35 (0.49) TDP1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL30275708 0.72 DNA2 (0.56) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL1017079 0.72 DNA2 (0.56) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL28312938 0.72 MAPT (0.57) DNA2CASP6CTDSP1CLK1DYRK1A

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