SCHEMBL353612

SCHEMBL353612

CCN(C(=O)C1CC1)c1nsc2cccc(CC(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MAPT P10636 5/20 0.34
HTT P42858 1/20 0.33
USP30 Q70CQ3 1/20 0.32
TP53 P04637 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 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
SCHEMBL352456 0.86 HCRTR1 (0.39) MEN1KMT2AHCRTR1HCRTR2MAPT
SCHEMBL10167466 0.84 HTT (0.38) MEN1KMT2AMAPTHTTTP53
SCHEMBL10167492 0.83 MAPT (0.36) HCRTR1HCRTR2MAPTHTTUSP30
SCHEMBL353134 0.83 HCRTR1 (0.39) MEN1KMT2AHCRTR1HCRTR2HTT
SCHEMBL354766 0.82 HCRTR1 (0.35) HCRTR1HCRTR2TP53
SCHEMBL10167510 0.80 MAPT (0.43) MEN1KMT2AMAPTHTTTP53
SCHEMBL353355 0.79 KMT2A (0.36) MEN1KMT2AHCRTR1HCRTR2MAPT
SCHEMBL354277 0.74 HCRTR1 (0.35) HCRTR1HCRTR2KDM4E
SCHEMBL357050 0.72 KDM4E (0.34) MEN1KMT2AHCRTR1HCRTR2MAPT
SCHEMBL10167456 0.72 ALDH1A1 (0.39) MEN1KMT2AMAPTHTTTP53

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