SCHEMBL13069732

SCHEMBL13069732

C/N=C(\Nc1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 17/20 0.60
NOS3 P29474 16/20 0.44
NOS2 P35228 3/20 0.43
RORC P51449 1/20 0.42
ADA P00813 1/20 0.40
QRFPR Q96P65 1/20 0.39

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
SCHEMBL1122127 0.86 NOS1 (0.60) NOS1NOS3NOS2RORCADA
SCHEMBL15499701 0.76 NOS1 (0.47) NOS1NOS3NOS2
SCHEMBL1122129 0.75 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL1122204 0.73 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL1122358 0.72 NOS3 (0.60) NOS1NOS3NOS2
SCHEMBL14179039 0.72 NOS1 (0.44) NOS1NOS3NOS2
SCHEMBL12253664 0.71 NOS1 (0.63) NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL1122320 0.70 NOS3 (0.63) NOS1NOS3NOS2
SCHEMBL12253663 0.70 NOS3 (0.62) NOS1NOS3NOS2
SCHEMBL1121993 0.70 NOS1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP disclosed