SCHEMBL7082816

SCHEMBL7082816

NC(=Nc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.52
NOS3 P29474 3/20 0.52
NOS2 P35228 2/20 0.52
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9053769 0.91 LMNA (0.58) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL9046185 0.91 NOS1 (0.58) NOS1NOS3NOS2RAB9AMEN1
Hydrochloric Acid SCHEMBL7134297 0.90 LMNA (0.57) NOS1NOS3NOS2RAB9AMEN1
Hydrochloric Acid SCHEMBL7078869 0.90 NOS3 (0.59) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL7081205 0.86 NOS1 (0.66) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL7077721 0.86 MEN1 (0.53) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL9055146 0.84 ALDH1A1 (0.54) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL7082453 0.84 NOS1 (0.57) NOS1RAB9AMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7086428 0.83 ALDH1A1 (0.53) NOS1NOS3NOS2RAB9AMEN1
SCHEMBL7077469 0.83 RAB9A (0.59) NOS1RAB9AMEN1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed