SCHEMBL24860258

SCHEMBL24860258

CCN(CC)c1ccc2c(CN)cc(=S)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.49
▸ GLA P06280 8/20 0.49
▸ HPGD P15428 7/20 0.49
▸ ATM Q13315 7/20 0.49
▸ L3MBTL1 Q9Y468 6/20 0.49
▸ CASP1 P29466 5/20 0.49
▸ CASP7 P55210 5/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ IGLV6-57 P01721 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KDM4E B2RXH2 9/20 0.48
▸ MAPT P10636 8/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48

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
SCHEMBL30430934 0.86 ALDH1A1 (0.53) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL24235203 0.83 ALDH1A1 (0.47) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL8571998 0.83 ALDH1A1 (0.68) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL8006711 0.81 ALDH1A1 (0.68) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL23915973 0.80 MAPT (0.51) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL21771607 0.78 MAPT (0.52) ALDH1A1GLAHPGDATML3MBTL1
Glutamic Acid SCHEMBL31673011 0.73 ALDH1A1 (0.40) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL25140697 0.72 IGLV6-57 (0.49) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL22372428 0.72 ALDH1A1 (0.66) ALDH1A1GLAHPGDATML3MBTL1
SCHEMBL6690441 0.72 ALDH1A1 (0.73) ALDH1A1GLAHPGDATML3MBTL1

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
EP-4116313-A1 CAP ANALOG FOR THE 5'-END OF EUKARYOTIC MESSENGER RNAS Westfälische Wilhelms-Universität Münster (DE) 2023-01-11 — — EP disclosed
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