SCHEMBL6968062

SCHEMBL6968062

N=C(Nc1cccc(CCNCc2ccccc2)c1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NOS3 P29474 3/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
ACKR3 P25106 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.40
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
CYP1A2 P05177 1/20 0.39

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 SCHEMBL27356702 0.96 MAPT (0.47) MAPTNOS3NOS1NOS2ACKR3
SCHEMBL15499647 0.95 NOS3 (0.48) MAPTNOS3NOS1NOS2ACKR3
SCHEMBL6961629 0.93 NPC1 (0.45) MAPTACKR3NPC1SMN1; SMN2KCNK3
SCHEMBL9219873 0.93 SMN1; SMN2 (0.48) MAPTNOS3NOS1NOS2ACKR3
Hydrochloric Acid SCHEMBL9220884 0.92 SMN1; SMN2 (0.47) MAPTNOS3NOS1NOS2ACKR3
Bromide SCHEMBL6963833 0.92 SMN1; SMN2 (0.47) MAPTNOS3NOS1NOS2ACKR3
SCHEMBL6962226 0.90 MAPT (0.49) MAPTACKR3SMN1; SMN2KCNK3KCNK9
SCHEMBL15499648 0.89 NOS3 (0.51) MAPTNOS3NOS1NOS2GAA
SCHEMBL6967589 0.89 NOS3 (0.59) MAPTNOS3NOS1NOS2NPC1
SCHEMBL15499646 0.89 MPO (0.46) 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 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
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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed