SCHEMBL28948825

SCHEMBL28948825

c1nnnc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.39
CYP11B2 P19099 1/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
CYP19A1 P11511 1/20 0.32
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NOTUM Q6P988 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
LCK P06239 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CEL P19835 1/20 0.30

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
SCHEMBL29190851 0.78 PTGS2 (0.33) TDO2CYP11B2ALDH1A1NOTUMTDP1
SCHEMBL3101449 0.74 TDO2 (0.38) TDO2CYP11B2JAK2JAK1TYK2
SCHEMBL9350412 0.74 TDO2 (0.38) TDO2CYP11B2JAK2JAK1TYK2
SCHEMBL4058269 0.74 TDO2 (0.35) TDO2
SCHEMBL2355698 0.72 CEL (0.37) TDO2CYP11B2JAK2JAK1TYK2
SCHEMBL4058977 0.71 TDO2 (0.33) TDO2JAK2JAK1JAK3
SCHEMBL6396174 0.67 HRH2 (0.32) ALDH1A1TDP1L3MBTL1
SCHEMBL10874992 0.67 L3MBTL1 (0.36) TDO2CYP11B2CYP19A1NOTUMTDP1
SCHEMBL3165977 0.64 NOTUM (0.33) TDO2NOTUML3MBTL1
SCHEMBL10456696 0.63 FFAR2 (0.34) TDO2CYP11B2ALDH1A1NOTUMTDP1

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-114953531-A Artificial quartz stone checkered plate with natural texture and preparation method thereof 福建鹏翔实业有限公司 2022-08-30 CN disclosed