SCHEMBL29881925

SCHEMBL29881925

Cl/C=C/COc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.55
PTGS2 P35354 6/20 0.55
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2A P08913 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL28820756 1.00 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL11349174 0.84 PTGS1 (0.51) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL29882474 0.81 PTGS1 (0.54) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL12371896 0.81 PTGS1 (0.54) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL7352333 0.75 PTGS1 (0.62) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL1632866 0.75 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL6842459 0.75 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2AMAPK1
SCHEMBL14688967 0.74 PTGS1 (0.60) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL14688355 0.73 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2ACYP1A2
SCHEMBL10158221 0.72 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2ACYP1A2

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed