SCHEMBL7690685

SCHEMBL7690685

CSc1ccc(N=C(N)c2cccs2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 5/20 0.53
NOS1 P29475 3/20 0.51
NOS3 P29474 2/20 0.51
NOS2 P35228 2/20 0.51

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
SCHEMBL7694648 0.90 NOS1 (0.57) QRFPRNOS1NOS3NOS2
SCHEMBL7697635 0.88 NOS3 (0.53) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7690698 0.88 QRFPR (0.51) QRFPRNOS1NOS3NOS2
SCHEMBL7690814 0.87 QRFPR (0.50) QRFPRNOS1NOS3NOS2
SCHEMBL7695517 0.85 NOS1 (0.51) QRFPRNOS1NOS3NOS2
SCHEMBL7696490 0.85 NOS3 (0.48) QRFPRNOS1NOS3NOS2
SCHEMBL7690815 0.84 NOS3 (0.46) QRFPRNOS1NOS3NOS2
SCHEMBL7695700 0.84 QRFPR (0.46) QRFPRNOS1NOS3NOS2
SCHEMBL7694542 0.84 NOS3 (0.49) QRFPRNOS1NOS3NOS2
SCHEMBL7695441 0.83 QRFPR (0.45) QRFPRNOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020511-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-03-14 WO claimed
WO-2002020511-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-03-14 WO disclosed