SCHEMBL6964304

SCHEMBL6964304

N=C(Nc1cccc(CCNCc2cccc(F)c2)c1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.46
NOS1 P29475 3/20 0.44
NOS3 P29474 2/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15499646 1.00 MPO (0.46) MPONOS1NOS3NOS2KDM4E
Oxalic Acid SCHEMBL27528078 0.95 MEN1 (0.48) MPONOS1NOS3NOS2KDM4E
SCHEMBL15499647 0.93 NOS3 (0.48) NOS1NOS3NOS2RAB9AMAPT
SCHEMBL6961265 0.91 NOS1 (0.48) MPONOS1NOS3NOS2RAB9A
SCHEMBL6968062 0.89 MAPT (0.46) NOS1NOS3NOS2RAB9AMAPT
SCHEMBL15499648 0.88 NOS3 (0.51) NOS1NOS3NOS2RAB9AMAPT
SCHEMBL6967589 0.87 NOS3 (0.59) NOS1NOS3NOS2RAB9AMAPT
SCHEMBL18994883 0.86 NOS3 (0.42) NOS1NOS3NOS2RAB9AMAPT
Oxalic Acid SCHEMBL27356702 0.85 MAPT (0.47) NOS1NOS3NOS2KDM4ERAB9A
SCHEMBL9219873 0.84 SMN1; SMN2 (0.48) NOS1NOS3NOS2RAB9AMAPT

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