SCHEMBL8570956

SCHEMBL8570956

COC(O)Cc1nsc(NC(=O)c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.53
NPC1 O15118 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL8575278 0.88 ADORA3 (0.51) ADORA3NPC1RXFP1TSHRMAPT
SCHEMBL8566680 0.81 NPSR1 (0.60) ADORA3NPC1RXFP1MAPTALDH1A1
SCHEMBL8570794 0.78 ADORA3 (0.62) ADORA3NPC1RXFP1ALDH1A1KDM4E
SCHEMBL8565133 0.76 ALDH1A1 (0.61) ADORA3NPC1RXFP1TSHRMAPT
SCHEMBL8570862 0.76 ADORA3 (0.59) ADORA3NPC1RXFP1ALDH1A1KDM4E
SCHEMBL30911334 0.74 ADORA3 (0.61) ADORA3NPC1RXFP1MAPTKDM4E
SCHEMBL1377141 0.73 ADORA3 (0.68) ADORA3NPC1RXFP1MAPTRAB9A
SCHEMBL8573144 0.72 ADORA3 (0.62) ADORA3NPC1RXFP1MAPTRAB9A
SCHEMBL29530821 0.70 ADORA3 (1.00) ADORA3NPC1RXFP1MAPTHTT
SCHEMBL8566729 0.68 ADORA3 (0.53) ADORA3NPC1RXFP1MAPTNPSR1

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