SCHEMBL357050

SCHEMBL357050

COCC(=O)N(C)c1nsc2cccc(CC(F)F)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
GRM5 P41594 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
SCHEMBL354766 0.87 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL355401 0.82 HPGD (0.34) KDM4EHSD17B10SMN1; SMN2HPGDMEN1
SCHEMBL354277 0.82 HCRTR1 (0.35) KDM4EHCRTR1HCRTR2GRM5
SCHEMBL355455 0.80 ALDH1A1 (0.38) KDM4EHSD17B10SMN1; SMN2HPGDMEN1
SCHEMBL352456 0.76 HCRTR1 (0.39) KDM4EHSD17B10MEN1KMT2AHCRTR1
SCHEMBL353442 0.75 LMNA (0.36) SMN1; SMN2MEN1KMT2AHCRTR1HCRTR2
SCHEMBL353612 0.72 MEN1 (0.35) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL353134 0.72 HCRTR1 (0.39) HPGDMEN1KMT2AHCRTR1HCRTR2
SCHEMBL352076 0.71 HTR2C (0.34) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL10167484 0.70 HCRTR1 (0.35) KDM4EHSD17B10SMN1; SMN2HPGDMEN1

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