SCHEMBL6969041

SCHEMBL6969041

COc1ccc(CNCCc2ccc(N=C(N)c3cccs3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.67
NOS1 P29475 3/20 0.67
NOS2 P35228 2/20 0.67
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL9039607 0.88 NOS3 (0.71) NOS3NOS1NOS2
SCHEMBL6963562 0.88 NOS1 (0.78) NOS3NOS1NOS2
SCHEMBL9037979 0.88 NOS1 (0.78) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6966298 0.87 NOS3 (0.72) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6962465 0.87 NOS3 (0.72) NOS3NOS1NOS2
SCHEMBL4397475 0.85 NOS1 (0.71) NOS3NOS1NOS2
SCHEMBL6962286 0.85 NOS1 (0.82) NOS3NOS1NOS2
SCHEMBL4397473 0.85 NOS1 (0.71) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6961158 0.84 NOS3 (0.72) NOS3NOS1NOS2
SCHEMBL4397433 0.83 NOS3 (0.58) 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 10 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
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US 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