SCHEMBL22645839

SCHEMBL22645839

CCCCNc1c(N(C)C)c(=S)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APAF1 O14727 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.30
ADAMTS5 Q9UNA0 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
SCHEMBL22645854 0.95 GPR84 (0.34) ALDH1A1MAPT
SCHEMBL22645840 0.89 GAA (0.31) GAA
SCHEMBL21842648 0.87 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL22649778 0.86 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL21473510 0.85 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL18665157 0.84 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL22645937 0.82 TSHR (0.34)
SCHEMBL21472504 0.82
SCHEMBL21230881 0.82 GPR84 (0.33) ALDH1A1MAPTADAMTS5
SCHEMBL22645831 0.81 GPR84 (0.34) ALDH1A1MAPT

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
WO-2021155267-A2 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF MODERNATX, INC. (US) 2021-08-05 WO disclosed
WO-2020227537-A1 DIFFERENTIALLY EXPRESSED IMMUNE CELL MICRORNAS FOR REGULATION OF PROTEIN EXPRESSION Modernatx, Inc (US) 2020-11-12 WO disclosed