SCHEMBL8570862

SCHEMBL8570862

O=CCc1nsc(NC(=O)c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.59
NPC1 O15118 5/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 1/20 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
SCHEMBL8570794 0.83 ADORA3 (0.62) ADORA3NPC1RXFP1ALDH1A1RAB9A
SCHEMBL8574002 0.80 NPC1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2PKM
SCHEMBL8566680 0.78 NPSR1 (0.60) ADORA3NPC1RXFP1ALDH1A1RAB9A
SCHEMBL8569667 0.76 SMN1; SMN2 (0.46) ADORA3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8565133 0.76 ALDH1A1 (0.61) ADORA3NPC1RXFP1ALDH1A1RAB9A
SCHEMBL8570956 0.76 ADORA3 (0.53) ADORA3NPC1RXFP1ALDH1A1RAB9A
SCHEMBL1377141 0.75 ADORA3 (0.68) ADORA3NPC1RXFP1RAB9ASMN1; SMN2
SCHEMBL29530821 0.75 ADORA3 (1.00) ADORA3NPC1RXFP1RAB9ASMN1; SMN2
SCHEMBL8575278 0.74 ADORA3 (0.51) ADORA3NPC1RXFP1ALDH1A1RAB9A
SCHEMBL8572006 0.74 NPC1 (0.37) ADORA3NPC1ALDH1A1RAB9ASMN1; SMN2

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