SCHEMBL8586573

SCHEMBL8586573

CCCCNC1=NSc2cc(F)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.36
KCNH3 Q9ULD8 1/20 0.34
MPO P05164 2/20 0.34
JAK2 O60674 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
ACHE P22303 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ALOX15 P16050 1/20 0.31
CCNT1 O60563 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL8582555 0.92 ADRA2A (0.38) NOX1MPOJAK2ADRA2AADRA2B
SCHEMBL8584509 0.86 NOX1 (0.40) NOX1
SCHEMBL8580850 0.86 HTR2A (0.39) NOX1KCNH3LMNATP53HTT
SCHEMBL8582984 0.81 MMP3 (0.33) KCNH3NPC1RAB9AADRA2AADRA2B
SCHEMBL8585872 0.80 NOX1 (0.44) NOX1
SCHEMBL16974843 0.80 ACHE (0.38) SMN1; SMN2ACHEALOX15
SCHEMBL8662194 0.79 ABL1 (0.38) NOX1
SCHEMBL16974874 0.79 NOX1 (0.37) NOX1KCNH3HTTSMN1; SMN2CCNT1
SCHEMBL16974909 0.78 NOX1 (0.38) NOX1
SCHEMBL8585958 0.78 NOX1 (0.33) NOX1SMN1; SMN2

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