SCHEMBL6575330

SCHEMBL6575330

N=C=O.N=C=O.Nc1nc(N)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 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
SCHEMBL6234146 1.00 CASP1 (0.36) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL5680834 1.00 CASP1 (0.36) CASP1CYP1A2LMNAPOLBADORA3
Carbimide SCHEMBL27589251 0.85 CASP1 (0.40) CASP1CYP1A2LMNAPOLBADORA3
Carbon Dioxide SCHEMBL28176337 0.85 CASP1 (0.40) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL20499889 0.80
SCHEMBL6544324 0.79 CASP1 (0.43) CASP1CYP1A2LMNAPOLBADORA3
Ethylene SCHEMBL7759466 0.76 LMNA (0.38) CASP1LMNAPOLBADORA3ADORA2A
SCHEMBL175612 0.76 CASP1 (0.50) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL9583239 0.76 CASP1 (0.50) CASP1CYP1A2LMNAPOLBADORA3
SCHEMBL9579151 0.76 CASP1 (0.50) CASP1CYP1A2LMNAPOLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034114-A1 LATEX REPLACEMENT POLYURETHANE FOAMS WITH IMPROVED FLAME RETARDANCY FOAMEX L.P. 2004-02-19 US disclosed