SCHEMBL8580846

SCHEMBL8580846

COCC(C)NC1=NSc2cc(F)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.34
HCAR3 P49019 1/20 0.33
PDE10A Q9Y233 1/20 0.31
MAPK1 P28482 2/20 0.31
NAMPT P43490 2/20 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
SCHEMBL8586570 0.86 NOX1 (0.36) NOX1HCAR3
SCHEMBL8584147 0.85 HPGD (0.36) NOX1HCAR3MAPK1
SCHEMBL8582685 0.83 NOX1 (0.40) NOX1
SCHEMBL8585922 0.81 NOX1 (0.38) NOX1
SCHEMBL7066155 0.79 HCAR3 (0.36) HCAR3NAMPT
SCHEMBL8580850 0.78 HTR2A (0.39) NOX1MAPK1
SCHEMBL8585872 0.77 NOX1 (0.44) NOX1
SCHEMBL16974872 0.76 KMT2A (0.39) NOX1
SCHEMBL8584509 0.75 NOX1 (0.40) NOX1
SCHEMBL7950883 0.74 L3MBTL1 (0.38) HCAR3

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-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed