SCHEMBL8586554

SCHEMBL8586554

C=CCNC1=NSc2cc(F)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.37
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8584509 0.82 NOX1 (0.40) NOX1
SCHEMBL8582555 0.80 ADRA2A (0.38) NOX1
SCHEMBL16974909 0.80 NOX1 (0.38) NOX1
SCHEMBL8585872 0.78 NOX1 (0.44) NOX1
SCHEMBL8662194 0.77 ABL1 (0.38) NOX1HTR2A
SCHEMBL8586573 0.77 NOX1 (0.36) NOX1LMNA
SCHEMBL7069919 0.77 CA12 (0.38) L3MBTL1
SCHEMBL8583208 0.76 NOX1 (0.37) NOX1LMNAL3MBTL1MEN1KMT2A
SCHEMBL8580850 0.74 HTR2A (0.39) NOX1HTR2ALMNAKMT2A
SCHEMBL16974874 0.74 NOX1 (0.37) NOX1

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