SCHEMBL8585602

SCHEMBL8585602

CCCNC1=NSc2cc(Br)ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.39
HTT P42858 1/20 0.39
CDK8 P49336 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SNCA P37840 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GSK3B P49841 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8580002 0.89 SNCA (0.35) HTTSNCASMN1; SMN2
SCHEMBL8582555 0.83 ADRA2A (0.38) ADRA2AADRA2BADRA2C
SCHEMBL8584133 0.81 SNCA (0.48) HTTADRA2AADRA2BADRA2CSNCA
SCHEMBL16974925 0.81 TRPA1 (0.37) ADRA2AADRA2BADRA2CGSK3B
SCHEMBL16974889 0.78 ALDH1A1 (0.33) SNCARAB9ASMN1; SMN2L3MBTL1
SCHEMBL8582802 0.77 LMNA (0.36) HTTSNCASMN1; SMN2
SCHEMBL8586573 0.76 NOX1 (0.36) HTTADRA2AADRA2BADRA2CNPC1
SCHEMBL8582984 0.75 MMP3 (0.33) ADRA2AADRA2BADRA2CSNCANPC1
SCHEMBL8583996 0.73 SNCA (0.32) SNCASMN1; SMN2
SCHEMBL8584509 0.71 NOX1 (0.40)

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