SCHEMBL9045698

SCHEMBL9045698

C1=CCC2=c3nc(C4CCNC4)sc3=CC2=C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL9049366 0.78 HRH4 (0.35)
Iodide SCHEMBL9047066 0.77
Hydrochloric Acid SCHEMBL9046305 0.77 HRH4 (0.34)
SCHEMBL9047832 0.75 HRH3 (0.33)
Hydrochloric Acid SCHEMBL9049937 0.75
Hydrochloric Acid SCHEMBL9047300 0.75
SCHEMBL9045414 0.74 PARP1 (0.30)
SCHEMBL9049747 0.74 HRH4 (0.38)
SCHEMBL9047273 0.74
SCHEMBL9048178 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP claimed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed