SCHEMBL6958640

SCHEMBL6958640

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.52
NOS3 P29474 3/20 0.49
NOS2 P35228 2/20 0.49
NPC1 O15118 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGLL Q99685 1/20 0.46

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
SCHEMBL6962660 0.82 NOS1 (0.59) NOS1NOS3NOS2SMN1; SMN2
SCHEMBL9038718 0.82 NOS1 (0.57) NOS1NOS3NOS2NPC1RAB9A
Iodide SCHEMBL6962652 0.81 NOS1 (0.56) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL6958634 0.80 NPC1 (0.52) NPC1RECQLRAB9ASMN1; SMN2MGLL
SCHEMBL7081205 0.79 NOS1 (0.66) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL6958490 0.77 NOS1 (0.62) NOS1NPC1RAB9A
SCHEMBL4627433 0.76 MEN1 (0.56) NOS1NOS3NOS2
SCHEMBL4627440 0.76 MEN1 (0.56) NOS1NOS3NOS2
SCHEMBL9041000 0.76 NOS1 (0.57) NOS1NPC1RAB9ASMN1; SMN2
SCHEMBL9037376 0.76 NOS1 (0.78) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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