SCHEMBL20870747

SCHEMBL20870747

CC1(C)CC([S+]([O-])Cc2noc3ccc(-c4ccc(Cl)cc4)cc23)=NO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL20855365 0.86 ALDH1A1 (0.33) MAPTTP53ALDH1A1PTGS1PTGS2
SCHEMBL20870977 0.84 MAPT (0.36) MAPTLMNAPTGS1PTGS2
SCHEMBL20871062 0.84 MAPT (0.31) MAPT
SCHEMBL20871063 0.77 MAPT (0.37) MAPTLMNATP53THRBPTGS1
SCHEMBL20870958 0.77 PTGS1 (0.38) PTGS1PTGS2
SCHEMBL20871122 0.75
SCHEMBL20870740 0.75 CHRNA7 (0.31)
SCHEMBL20871628 0.73
SCHEMBL20871591 0.70
SCHEMBL20870953 0.69 DAO (0.33) MAPTLMNATP53THRB

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
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 WO disclosed