SCHEMBL8583168

SCHEMBL8583168

ClC1=NSc2cc(Br)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.40
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
NOS1 P29475 2/20 0.31
METAP2 P50579 2/20 0.31
CSNK2A1 P68400 1/20 0.31
DYRK1A Q13627 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL8582844 0.81 NOX1 (0.41) TGM2CES1MAOAMAOBNOS1
SCHEMBL11852004 0.73 NOX1 (0.46) SNCAMAOA
SCHEMBL8493210 0.71 MEN1 (0.36) SNCAGABRA1GABRA5GABRA3
SCHEMBL8580002 0.71 SNCA (0.35) SNCAGABRA1GABRA5GABRA3
SCHEMBL8582802 0.71 LMNA (0.36) SNCAGABRA1GABRA5GABRA3
SCHEMBL8579912 0.70 NOX1 (0.49) CES1MAOACSNK2A1DYRK1A
SCHEMBL2582828 0.70 SNCA (0.66) SNCATGM2CES1MAOACA12
SCHEMBL29637682 0.70 SNCA (0.66) SNCATGM2CES1MAOACA12
SCHEMBL8585602 0.69 CCNC (0.39) SNCA
Bromide SCHEMBL20495634 0.69 SNCA (0.64) SNCATGM2CES1MAOACA12

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