SCHEMBL3882706

SCHEMBL3882706

O=C=NC(N=C=O)(c1ccccc1)c1ccccc1.O=C=NCCCCCCN=C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.38
MIF P14174 3/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KEAP1 Q14145 5/20 0.34
NFE2L2 Q16236 5/20 0.34
KIF11 P52732 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
SCHEMBL1149592 0.83 KCNN4 (0.36)
SCHEMBL15413 0.83 KCNN4 (0.36)
SCHEMBL29106963 0.82 NAAA (0.35) NAAAMIFMAOAMAOBKEAP1
SCHEMBL19128956 0.81 KCNN4 (0.35)
SCHEMBL8578358 0.81 KCNN4 (0.35)
SCHEMBL2476985 0.81 KCNN4 (0.35)
SCHEMBL28448472 0.81 KCNN4 (0.35)
Water SCHEMBL10334361 0.81 KCNN4 (0.35)
Water SCHEMBL2069627 0.81 KCNN4 (0.35)
SCHEMBL28385259 0.81 KCNN4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012237-A1 CURABLE COMPOSITION AND COMPATIBILIZING AGENT KANEKA CORPORATION (JP) 2009-01-08 US disclosed
EP-1690702-A2 Adhesive composition, resin material, rubber article and pneumatic tire BRIDGESTONE CORPORATION (JP) 2006-08-16 EP disclosed
WO-2005068364-A1 EXFOLIATED NANOCLAYS INDIAN PETROCHEMICALS CORPORATION LIMITED (IN) 2005-07-28 WO disclosed