SCHEMBL28062964

SCHEMBL28062964

Nc1nc(Cl)nc(C2CNCCO2)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL2421840 0.89 SLC6A3 (0.39) SLC6A3KCNH2TAAR1
SCHEMBL2237897 0.89 SLC6A3 (0.39) SLC6A3KCNH2TAAR1
SCHEMBL28679348 0.79 DRD2 (0.43)
SCHEMBL28170128 0.75 DRD2 (0.37)
SCHEMBL27499219 0.75
Hydrochloric Acid SCHEMBL28628720 0.75 HRH1 (0.38)
SCHEMBL28088185 0.75 POLB (0.46) SLC6A3KCNH2TAAR1
SCHEMBL28275278 0.74 HTR1A (0.35)
SCHEMBL7942550 0.72 SLC6A3 (0.38) SLC6A3KCNH2TAAR1
SCHEMBL27776227 0.72 NFKB1 (0.50)

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
CN-105622672-B Halogen-free expansion type flame retardant of a kind of phosphoramidate containing triazine ring and preparation method thereof 兰州大学 2019-07-30 CN disclosed
CN-105622672-A Halogen-free expansion type flame retardant containing thiotriazinone phosphoramidate and preparation method thereof UNIV LANZHOU 2016-06-01 CN disclosed