SCHEMBL28854577

SCHEMBL28854577

Nc1ccc(OC=S)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HTT P42858 3/20 0.44
CASP1 P29466 2/20 0.44
USP2 O75604 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP3A4 P08684 2/20 0.33
CYP19A1 P11511 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL28459787 0.78 ALDH1A1 (0.44) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL366855 0.78 ALDH1A1 (0.44) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL30462573 0.74 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL4532343 0.74 ALDH1A1 (0.52) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL18035235 0.74 ALDH1A1 (0.44) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL6573213 0.74 ALDH1A1 (0.39) ALDH1A1MAPTGAAKDM4EHTT
Hydrochloric Acid SCHEMBL6574188 0.72 ALDH1A1 (0.38) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL11218926 0.71 GAA (0.71) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL15514306 0.70 ALDH1A1 (0.64) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL21939538 0.70 ALDH1A1 (0.48) ALDH1A1MAPTGAAKDM4EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845797-A Gas separation membrane, gas separation membrane element, and gas production method 东丽株式会社 2022-08-02 CN disclosed
CN-114222620-A Gas separation membrane module 东丽株式会社 2022-03-22 CN disclosed