SCHEMBL6958490

SCHEMBL6958490

NC(=Nc1ccc(C(=O)Nc2ccccc2)cc1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.62
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
ALDH1A1 P00352 5/20 0.57
TP53 P04637 2/20 0.57
HPGD P15428 1/20 0.57
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL8572027 0.95 RAB9A (0.68) NOS1MEN1KMT2ARAB9ANPC1
Iodide SCHEMBL6957575 0.94 MEN1 (0.67) NOS1MEN1KMT2ARAB9ANPC1
SCHEMBL7081205 0.87 NOS1 (0.66) NOS1MEN1KMT2ARAB9ANPC1
SCHEMBL9037878 0.87 NPC1 (0.69) NOS1MEN1KMT2ARAB9ANPC1
SCHEMBL9037289 0.86 KCNK3 (0.67) NOS1MEN1KMT2ARAB9ANPC1
SCHEMBL4628340 0.81 NOS1 (0.73) NOS1RAB9ANPC1ALDH1A1MAPT
SCHEMBL27355025 0.81 NOS1 (0.68) NOS1
Oxalic Acid SCHEMBL27356703 0.80 NPC1 (0.55) NOS1MEN1KMT2ARAB9ANPC1
Iodide SCHEMBL5418761 0.80 NOS1 (0.71) NOS1RAB9ANPC1ALDH1A1MAPT
Iodide SCHEMBL6961526 0.79 NOS1 (0.66) NOS1

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