SCHEMBL7973547

SCHEMBL7973547

COc1ccc(N=C(N)c2cccs2)cc1CNCCCCCO

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.57
NOS3 P29474 5/20 0.47
NOS1 P29475 4/20 0.47
NOS2 P35228 3/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7602793 0.92 QRFPR (0.61) QRFPRNOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL7602398 0.91 QRFPR (0.60) QRFPRNOS3NOS1NOS2
SCHEMBL7600367 0.89 QRFPR (0.46) QRFPRNOS3NOS1NOS2
SCHEMBL7568601 0.87 QRFPR (0.60) QRFPRNOS3NOS1NOS2KDM4E
SCHEMBL7602452 0.87 QRFPR (0.45) QRFPRNOS3NOS1NOS2
SCHEMBL7973735 0.87 QRFPR (0.45) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7609390 0.86 NOS3 (0.45) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7566149 0.86 QRFPR (0.59) QRFPRNOS3NOS1NOS2
SCHEMBL7564087 0.83 QRFPR (0.66) QRFPRNOS3NOS1NOS2
SCHEMBL7562858 0.83 QRFPR (0.71) QRFPRNOS3NOS1NOS2

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