SCHEMBL353134

SCHEMBL353134

CCN(C(=O)c1ccccc1)c1nsc2cccc(CC(F)F)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK14 Q16539 2/20 0.34
GRM1 Q13255 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL354475 0.89 HTT (0.40) TSHRHTTMEN1KMT2ARAD52
SCHEMBL352456 0.86 HCRTR1 (0.39) HCRTR1HCRTR2TSHRMEN1KMT2A
SCHEMBL353355 0.85 KMT2A (0.36) HCRTR1HCRTR2HTTMEN1KMT2A
SCHEMBL353612 0.83 MEN1 (0.35) HCRTR1HCRTR2HTTMEN1KMT2A
SCHEMBL10167495 0.82 MEN1 (0.41) HCRTR1HCRTR2TSHRHTTMEN1
SCHEMBL10167509 0.79 RAD52 (0.51) TSHRHTTMEN1KMT2ARAD52
SCHEMBL352691 0.73 KMT2A (0.39) HTTMEN1KMT2AALDH1A1
SCHEMBL357050 0.72 KDM4E (0.34) HCRTR1HCRTR2HTTMEN1KMT2A
SCHEMBL10167556 0.68 KMT2A (0.35) HCRTR1HCRTR2MEN1KMT2ARAD52
SCHEMBL353613 0.68 MAPT (0.44) HTTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed