SCHEMBL20870577

SCHEMBL20870577

CC1(C)CC(S(=O)(=O)C(F)c2noc3ccccc23)=NO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
USP9X Q93008 2/20 0.31

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
SCHEMBL28555817 0.89 CA12 (0.35) CA12CA1CA2LMNACA3
SCHEMBL20870579 0.85 PTGS1 (0.35)
SCHEMBL20855338 0.76 HTR3A (0.32)
SCHEMBL20870905 0.76 HTR3A (0.32)
SCHEMBL20861670 0.76 PTGS1 (0.35)
SCHEMBL20855337 0.76 HTR3A (0.32)
SCHEMBL20870596 0.76 PTGS1 (0.35)
SCHEMBL20871127 0.76 PTGS1 (0.35)
SCHEMBL20870578 0.76
SCHEMBL28912014 0.76 F2 (0.32)

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