SCHEMBL1122276

SCHEMBL1122276

NC(=Nc1cn(CCNCCc2ccc(Br)cc2)c2ccccc12)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
NOS3 P29474 4/20 0.46
NOS1 P29475 4/20 0.46
NOS2 P35228 3/20 0.46
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 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
SCHEMBL1122274 0.79 MAPT (0.51) MAPTTSHRTP53SMN1; SMN2THRB
SCHEMBL1121995 0.76 NOS1 (0.69) NOS3NOS1NOS2
SCHEMBL9037376 0.71 NOS1 (0.78) NOS3NOS1NOS2
SCHEMBL9039073 0.67 NOS1 (0.71) NOS3NOS1NOS2
SCHEMBL6961641 0.66 NOS1 (0.64) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL9280170 0.66 NOS1 (0.70) NOS3NOS1NOS2
Bromide SCHEMBL6962474 0.66 NOS1 (0.70) NOS3NOS1NOS2
SCHEMBL9037979 0.66 NOS1 (0.78) NOS3NOS1NOS2
SCHEMBL6963562 0.66 NOS1 (0.78) NOS3NOS1NOS2
SCHEMBL9219878 0.66 NOS3 (0.73) NOS3NOS1NOS2

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
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP claimed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP claimed