SCHEMBL5612558

SCHEMBL5612558

CC(Cc1nc(N)nc(N)n1)n1c(=O)n(C(C)Cc2nc(N)nc(N)n2)c(=O)n(C(C)Cc2nc(N)nc(N)n2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
CASP1 P29466 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 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
SCHEMBL672555 0.72 HRH4 (0.55) HRH4CASP1CYP1A2TSHR
SCHEMBL26185003 0.72 CASP1 (0.46) HRH4CASP1CYP1A2TSHR
SCHEMBL18789339 0.67 TSHR (0.41) HRH4TSHR
SCHEMBL27572992 0.67 CASP1 (0.41) HRH4CASP1CYP1A2TSHR
SCHEMBL27572980 0.67 CASP1 (0.41) HRH4CASP1CYP1A2TSHR
SCHEMBL2156929 0.66 TSHR (0.51) HRH4TSHR
SCHEMBL27553036 0.65 CASP1 (0.39) HRH4CASP1CYP1A2
SCHEMBL11429813 0.62 TSHR (0.37) TSHR
SCHEMBL1149691 0.61 CASP1 (0.50) HRH4CASP1CYP1A2TSHR
SCHEMBL31332590 0.61 HRH4 (0.49) HRH4CASP1CYP1A2TSHR

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
US-7183340-B2 Polyacetal resin composition and process for producing same POLYPLASTICS CO., LTD. (JP) 2007-02-27 US disclosed
US-20060052492-A1 Polyacetal resin composition and process for producing same POLYPLASTICS CO., LTD. (JP) 2006-03-09 US disclosed