SCHEMBL9412295

SCHEMBL9412295

C[Si](C)(C)COc1nsc(SC(F)F)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RECQL P46063 1/20 0.32
MAPT P10636 4/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 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
SCHEMBL8996668 0.87 FNTA (0.33) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL9412276 0.81 ALDH1A1 (0.37) ALDH1A1RECQLMAPTHSD17B10TP53
SCHEMBL9412247 0.81 RECQL (0.36) ALDH1A1RECQLMAPTHSD17B10TP53
SCHEMBL9412255 0.81 SQOR (0.34) ALDH1A1MAPTHSD17B10MEN1HPGD
SCHEMBL8945823 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10MEN1HPGD
SCHEMBL9412299 0.80 ALDH1A1 (0.33) ALDH1A1RECQLMAPT
SCHEMBL9412298 0.80 ALDH1A1 (0.36) ALDH1A1RECQLMAPTHSD17B10MAPK1
SCHEMBL8945442 0.78
SCHEMBL9412290 0.78 RECQL (0.34) ALDH1A1RECQLMAPTHSD17B10TP53
SCHEMBL9412283 0.77 ALDH1A1 (0.35) ALDH1A1RECQLMAPTHSD17B10TP53

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-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