SCHEMBL9037830

SCHEMBL9037830

CNCCc1cccc(N=C(N)c2cccs2)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.68
NOS1 P29475 3/20 0.68
NOS2 P35228 3/20 0.68

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
Bromide SCHEMBL6967199 0.99 NOS3 (0.69) NOS3NOS1NOS2
SCHEMBL6964961 0.88 NOS3 (0.65) NOS3NOS1NOS2
Bromide SCHEMBL6962437 0.87 NOS3 (0.66) NOS3NOS1NOS2
SCHEMBL9037905 0.87 NOS3 (0.64) NOS3NOS1NOS2
SCHEMBL9038848 0.87 NOS3 (0.64) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9219027 0.87 NOS3 (0.64) NOS3NOS1NOS2
SCHEMBL9038965 0.87 NOS3 (0.67) NOS3NOS1NOS2
SCHEMBL9219878 0.86 NOS3 (0.73) NOS3NOS1NOS2
Bromide SCHEMBL6961351 0.86 NOS3 (0.66) NOS3NOS1NOS2
Bromide SCHEMBL6958193 0.86 NOS3 (0.65) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed