SCHEMBL7084932

SCHEMBL7084932

NC(=Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.61
NOS3 P29474 2/20 0.54
NOS2 P35228 2/20 0.54
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
Oxalic Acid SCHEMBL27355022 0.90 NOS1 (0.50) NOS1NOS3NOS2KCNK3KCNK9
SCHEMBL7081205 0.88 NOS1 (0.66) NOS1NOS3NOS2MAPTSMN1; SMN2
SCHEMBL9037289 0.88 KCNK3 (0.67) NOS1NOS3NOS2KCNK3KCNK9
SCHEMBL7080394 0.83 SMN1; SMN2 (0.51) NOS1KCNK3KCNK9SMN1; SMN2
SCHEMBL9046185 0.83 NOS1 (0.58) NOS1NOS3NOS2MAPTSMN1; SMN2
Bromide SCHEMBL7132671 0.82 SMN1; SMN2 (0.50) NOS1NOS3NOS2SMN1; SMN2
Hydrochloric Acid SCHEMBL7078869 0.82 NOS3 (0.59) NOS1NOS3NOS2MAPTSMN1; SMN2
SCHEMBL6961159 0.81 NOS1 (0.59) NOS1NOS3NOS2MAPT
SCHEMBL7082364 0.81 SMN1; SMN2 (0.61) MAPTSMN1; SMN2
Oxalic Acid SCHEMBL27363239 0.80 KCNK3 (0.58) NOS1NOS3NOS2KCNK3KCNK9

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 8 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
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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed