SCHEMBL8569286

SCHEMBL8569286

O=C(O)Cc1nsc(C(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.38
AKR1B1 P15121 2/20 0.37
SRD5A2 P31213 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL14291861 0.75 ALDH1A1 (0.45) KMT2AHPGDALDH1A1MEN1SRD5A2
SCHEMBL8570794 0.74 ADORA3 (0.62) KMT2AALDH1A1MEN1KDM4EPTGDR2
SCHEMBL1081516 0.66 CYP1A2 (0.52) KMT2AHPGDALDH1A1MEN1NPC1
Benzophenone SCHEMBL8820654 0.65 AKR1B1 (0.77) KMT2AHPGDALDH1A1AKR1B1SRD5A2
SCHEMBL9865683 0.65 CYP1A2 (0.50) KMT2AHPGDALDH1A1MEN1NPC1
SCHEMBL1415906 0.64 SRD5A2 (0.73) KMT2AHPGDALDH1A1MEN1AKR1B1
Benzophenone SCHEMBL30537001 0.62 ALDH1A1 (1.00) KMT2AHPGDALDH1A1MEN1SRD5A2
Benzophenone SCHEMBL30536983 0.62 ALDH1A1 (1.00) KMT2AHPGDALDH1A1MEN1SRD5A2
Benzophenone SCHEMBL1074283 0.62 ALDH1A1 (1.00) KMT2AHPGDALDH1A1MEN1SRD5A2
Benzophenone SCHEMBL6061130 0.62 ALDH1A1 (1.00) KMT2AHPGDALDH1A1MEN1SRD5A2

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