SCHEMBL8996607

SCHEMBL8996607

CSc1snc(OC(F)F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 4/20 0.32
HSD17B10 Q99714 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 2/20 0.31
JAK2 O60674 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL9412224 0.84 FNTA (0.33) ALDH1A1MAPK1MAPTHSD17B10MEN1
SCHEMBL9412251 0.83 ALDH1A1 (0.31) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL9412243 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL9412204 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL9412190 0.81 MAPT (0.39) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8996591 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1MAPTHSD17B10MEN1
SCHEMBL8996631 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8996621 0.78 MAOA (0.32)
SCHEMBL9412274 0.78 MAPT (0.58) ALDH1A1MAPK1MAPTHSD17B10MEN1
SCHEMBL9412186 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1HTTMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6073031-A None JP disclosed
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US disclosed
EP-0604978-A1 Isothiazole derivatives, a process for production thereof and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1994-07-06 EP disclosed
JP-H0673031-A ISOTHIAZOLE DERIVATIVE, ITS PRODUCTION AND TERMITE CONTROLLER COMPRISING THE SAME COMPOUND AS ACTIVE INGREDIENT NIPPON NOHYAKU CO LTD 1994-03-15 JP disclosed
EP-0578246-A1 Isothiazole derivatives and processes for preparing the same as well as termite controlling agents comprising the same as active ingredient NIHON NOHYAKU CO., LTD. (JP) 1994-01-12 EP disclosed