SCHEMBL6964955

SCHEMBL6964955

CCNCCc1cccc(NC(=N)c2cccs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ACKR3 P25106 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38

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 SCHEMBL6962429 0.99 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL9219017 0.99 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL9038957 0.92 NOS3 (0.43) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Bromide SCHEMBL6961347 0.91 NOS3 (0.43) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL15499647 0.89 NOS3 (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL9219873 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Hydrochloric Acid SCHEMBL9220884 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
Bromide SCHEMBL6963833 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL9037824 0.88 ACKR3 (0.43) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL15499632 0.87 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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