SCHEMBL353613

SCHEMBL353613

CCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
DGAT2 Q96PD7 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 2/20 0.35
GPBAR1 Q8TDU6 5/20 0.34
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
NPC1 O15118 1/20 0.33
RBP4 P02753 1/20 0.32
CD38 P28907 1/20 0.32
HTT P42858 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MLYCD O95822 1/20 0.31
PDK1 Q15118 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
SCHEMBL351264 0.89 MAPT (0.43) MAPTALDH1A1NPSR1GAAGPBAR1
SCHEMBL10167582 0.88 MAPT (0.56) MAPTDGAT2ALDH1A1NPSR1GAA
SCHEMBL10167652 0.77 MAPT (0.46) MAPTALDH1A1GPBAR1POLBNPC1
SCHEMBL354475 0.75 HTT (0.40) ALDH1A1NPC1HTT
SCHEMBL10167648 0.75 MAPT (0.59) MAPTDGAT2GPBAR1
SCHEMBL10167558 0.73 MAPT (0.49) MAPTALDH1A1GPBAR1
SCHEMBL352691 0.71 KMT2A (0.39) MAPTALDH1A1POLBHTT
SCHEMBL351052 0.71 MEN1 (0.42) MAPTALDH1A1KDM4EHTT
SCHEMBL353134 0.68 HCRTR1 (0.39) ALDH1A1HTT
SCHEMBL352456 0.67 HCRTR1 (0.39) MAPTALDH1A1KDM4ENPC1

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