SCHEMBL6965602

SCHEMBL6965602

N=C(Nc1cccc(CCNCc2ccccc2Br)c1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.39
NOS3 P29474 3/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
ACKR3 P25106 1/20 0.36
MPO P05164 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
BCHE P06276 1/20 0.36

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 SCHEMBL27355020 0.95 MAPT (0.42) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6960876 0.88 NOS3 (0.43) MAPTNOS3NOS1NOS2NPC1
SCHEMBL6961637 0.88 POLB (0.44) POLBMAPTNOS3NOS1NOS2
SCHEMBL6968440 0.88 MAPT (0.39) MAPTNOS3NOS1NOS2NPC1
SCHEMBL27354995 0.88 NOS3 (0.40) MAPTNOS3NOS1NOS2NPC1
SCHEMBL6968062 0.87 MAPT (0.46) MAPTNOS3NOS1NOS2NPC1
SCHEMBL15499647 0.87 NOS3 (0.48) MAPTNOS3NOS1NOS2NPC1
SCHEMBL9219873 0.84 SMN1; SMN2 (0.48) MAPTNOS3NOS1NOS2NPC1
Hydrochloric Acid SCHEMBL9220884 0.83 SMN1; SMN2 (0.47) MAPTNOS3NOS1NOS2NPC1
Bromide SCHEMBL6963833 0.83 SMN1; SMN2 (0.47) MAPTNOS3NOS1NOS2NPC1

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