SCHEMBL8570631

SCHEMBL8570631

COC(=O)C(=O)c1nsc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
POLB P06746 1/20 0.44
MIF P14174 1/20 0.44
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.40

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
SCHEMBL15077544 0.87 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL29713757 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL8572560 0.82 TSHR (0.39) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL8573144 0.82 ADORA3 (0.62) MAPTNPC1RAB9APKMADORA3
SCHEMBL8569577 0.81 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL15077769 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL5335555 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL24491036 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL5336389 0.76 CCNE1 (0.57) ALDH1A1KMT2AMEN1CCNE1CDK2
SCHEMBL23966912 0.76 CCNE1 (0.48) ALDH1A1KMT2AMEN1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705650-A Process for preparing 1,2,4-thiadiazole derivatives KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1998-01-06 US disclosed
US-5585494-A Process for preparing 1,2,4-thiadiazole derivatives KATAYAMA SEIYAKUSYO CO. LTD. (JP) 1996-12-17 US disclosed
EP-0536900-A2 Process for preparing 1,2,4-Thiadiazole Derivatives KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1993-04-14 EP disclosed