SCHEMBL8638514

SCHEMBL8638514

CC(C)NC1=NSc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.38
CYBB P04839 1/20 0.38
NOX3 Q9HBY0 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
KCNH3 Q9ULD8 1/20 0.34
CHRM1 P11229 1/20 0.34
KIF11 P52732 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
METAP2 P50579 1/20 0.32
PTPN5 P54829 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
DHODH Q02127 1/20 0.31
PDE2A O00408 2/20 0.31
MAT2A P31153 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
SCHEMBL8639052 0.90 NOX1 (0.43) NOX1CYBBNOX3NOX4KCNH3
SCHEMBL8585052 0.89
SCHEMBL8582685 0.83 NOX1 (0.40) NOX1KCNH3
SCHEMBL8639139 0.81 EPHX2 (0.40) NOX1MAPTALOX15HSD17B10GAA
SCHEMBL8586383 0.80 NOX1 (0.34) NOX1CHRM1MAPTALDH1A1HPGD
SCHEMBL8583646 0.80 GSK3B (0.41) MAPTGAA
SCHEMBL8582802 0.80 LMNA (0.36)
SCHEMBL8662788 0.80 SNCA (0.35)
SCHEMBL16974925 0.78 TRPA1 (0.37) NOX1CYBBNOX3NOX4KIF11
SCHEMBL16974917 0.77 TRPA1 (0.32) TRPA1

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