SCHEMBL7441763

SCHEMBL7441763

NCCSC1c2ccccc2N=C(N)c2sccc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL7394046 0.89
SCHEMBL7381137 0.75 NOS2 (0.36) NOS3NOS1NOS2
SCHEMBL7412405 0.74 NOS2 (0.35) NOS3NOS1NOS2
SCHEMBL7597684 0.74 NOS2 (0.35) NOS3NOS1NOS2
SCHEMBL7412424 0.70 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL9013639 0.63 HTR2A (0.52)
SCHEMBL7420414 0.59 CYP1A2 (0.56) NOS3NOS1NOS2
SCHEMBL7417108 0.59 BACE1 (0.51) NOS3NOS2
SCHEMBL7380418 0.58 CYP1A2 (0.36) NOS3NOS1NOS2
SCHEMBL7420397 0.58 NOS2 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000073312-A1 COMPOUNDS ASTRAZENECA AB (SE) 2000-12-07 WO disclosed