SCHEMBL8639320

SCHEMBL8639320

CC(C)NC1=NSc2ccc(Oc3ccccc3)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
NOX1 Q9Y5S8 1/20 0.35
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 1/20 0.33
PTGS1 P23219 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
PTGES O14684 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8583428 0.76 KCNH3 (0.32) NOX1
SCHEMBL7957504 0.73 ADAM17 (0.41) LRRK2MAOAMAOBHTTALDH1A1
SCHEMBL8639052 0.73 NOX1 (0.43) NOX1ALDH1A1HPGDMAPTTP53
SCHEMBL16974920 0.72 KMT2A (0.47) NOX1HTTALDH1A1HPGDMEN1
SCHEMBL2344742 0.70 GLP1R (0.31)
SCHEMBL8582685 0.68 NOX1 (0.40) NOX1
SCHEMBL8584298 0.67
SCHEMBL16974832 0.67
SCHEMBL8719354 0.67 NPR1 (0.35) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8642024 0.67 HCAR3 (0.43) NOX1HTTTDP1L3MBTL1ALDH1A1

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