SCHEMBL5612475

SCHEMBL5612475

Nc1nc(N)nc(CCC(N)(CCc2nc(N)nc(N)n2)C(N)(CCc2nc(N)nc(N)n2)CCc2nc(N)nc(N)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.56
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 2/20 0.32

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
SCHEMBL5612645 0.91 CASP1 (0.60) CASP1CYP1A2TSHR
SCHEMBL5612404 0.83 CASP1 (0.45) CASP1CYP1A2TSHR
SCHEMBL5612555 0.82 CASP1 (0.43) CASP1CYP1A2
SCHEMBL11306480 0.80 CASP1 (0.56) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL5612976 0.79 CASP1 (0.50) CASP1CYP1A2TSHR
SCHEMBL23175026 0.78 CASP1 (0.54) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL11143022 0.78 CASP1 (0.54) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL4448651 0.78 CASP1 (0.77) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL1707604 0.73 CASP1 (1.00) CASP1CYP1A2TSHRNPC1RAB9A
SCHEMBL1707515 0.73 CASP1 (0.88) CASP1CYP1A2TSHRNPC1RAB9A

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