SCHEMBL27979620

SCHEMBL27979620

NCc1cccc(N=C=Nc2cccc(CN)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 15/20 0.56
▸ NOS2 P35228 14/20 0.56
▸ NOS3 P29474 12/20 0.55
▸ PNMT P11086 1/20 0.52
▸ ENPP2 Q13822 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46

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
SCHEMBL24422635 0.85 NOS1 (0.62) NOS1NOS2NOS3PNMTENPP2
SCHEMBL27278789 0.84 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2
SCHEMBL27300646 0.84 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2
SCHEMBL28208342 0.78 NOS1 (0.44) NOS1NOS2NOS3PNMT
SCHEMBL28123936 0.78 NOS3 (0.50) NOS1NOS2NOS3PNMTLOXL2
SCHEMBL24423149 0.77 NOS1 (0.58) NOS1NOS2NOS3PNMTENPP2
SCHEMBL10134884 0.77 NOS1 (0.58) NOS1NOS2NOS3PNMTENPP2
SCHEMBL36008 0.74 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL10422276 0.74 LOXL2 (0.71) NOS1NOS2NOS3PNMTENPP2
SCHEMBL20552581 0.72 NOS1 (0.53) NOS1NOS2NOS3PNMTENPP2

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
CN-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 — — CN disclosed
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 — — CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 — — CN disclosed
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