SCHEMBL10144472

SCHEMBL10144472

Cc1cc(C)nc(CCc2cc(C)cc(CCc3cc(C)cc(CCc4cc(C)cc(C)n4)n3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.52
NOS1 P29475 5/20 0.52
NOS3 P29474 3/20 0.47

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
SCHEMBL11829782 0.86 NOS2 (0.64) NOS2NOS1NOS3
SCHEMBL9427715 0.84 NOS2 (0.47) NOS2NOS1NOS3
SCHEMBL11699836 0.84 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL22810781 0.83 NOS2 (0.40) NOS2NOS1NOS3
SCHEMBL15894181 0.82 NOS2 (0.50) NOS2NOS1NOS3
SCHEMBL13040577 0.81 NOS2 (0.68) NOS2NOS1NOS3
SCHEMBL19413757 0.81 NOS2 (0.68) NOS2NOS1NOS3
SCHEMBL21928846 0.80 HSP90AA1 (0.46) NOS2NOS1NOS3
SCHEMBL7116565 0.80 NOS2 (0.61) NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL11446939 0.79 NOS1 (0.53) NOS2NOS1NOS3

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-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed