SCHEMBL8996591

SCHEMBL8996591

CCC(C)Sc1snc(OC(F)F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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 0.86 FNTA (0.33) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412223 0.84 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412243 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412283 0.81 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL8996607 0.80 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412204 0.78 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412211 0.78 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL8996597 0.77 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412290 0.77 RECQL (0.34) ALDH1A1MAPTMAPK1TP53TSHR
SCHEMBL9412303 0.76 ALDH1A1 (0.36) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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