SCHEMBL7973650

SCHEMBL7973650

NC(=Nc1ccc(Oc2ccccc2)c(CCl)c1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.52
QRFPR Q96P65 4/20 0.51
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47

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
Hydrochloric Acid SCHEMBL7562893 0.99 NOS1 (0.51) NOS1QRFPRNOS3NOS2
SCHEMBL7563148 0.91 NOS1 (0.55) NOS1QRFPRNOS3NOS2
SCHEMBL7566514 0.86 QRFPR (0.51) NOS1QRFPRNOS3NOS2
Hydrochloric Acid SCHEMBL7562399 0.85 QRFPR (0.50) NOS1QRFPRNOS3NOS2
Hydrochloric Acid SCHEMBL7563164 0.84 QRFPR (0.67) NOS1QRFPRNOS3NOS2
SCHEMBL7565824 0.83 QRFPR (0.51) NOS1QRFPRNOS3NOS2
SCHEMBL7597204 0.82 NOS1 (0.49) NOS1QRFPRNOS3NOS2
SCHEMBL7562369 0.82 QRFPR (0.46) NOS1QRFPRNOS3NOS2
SCHEMBL7564249 0.82 QRFPR (0.55) NOS1QRFPRNOS3NOS2
Hydrochloric Acid SCHEMBL7566312 0.82 QRFPR (0.50) NOS1QRFPRNOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed