SCHEMBL7789638

SCHEMBL7789638

O=[N+]([O-])c1ccc(CS(=O)(=O)NC(Cc2ccccc2)C2CC(Cc3ccccc3)=NO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7800178 0.90 ALDH1A1 (0.36) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7796443 0.89 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7800100 0.86 ALDH1A1 (0.37) MAPTGAAHTTALDH1A1MEN1
SCHEMBL7796639 0.84 PTPRF (0.40) MAPTHTTALDH1A1CYP1A2CYP2C19
SCHEMBL7797819 0.84 CA1 (0.41) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL7789529 0.84 ALDH1A1 (0.44) HTTALDH1A1MAPK1MEN1KMT2A
SCHEMBL7796459 0.82 SORT1 (0.35) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL7789564 0.80 NPC1 (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL7789584 0.79 PSEN1 (0.34) MAPTALDH1A1
SCHEMBL7797907 0.78 SORT1 (0.35) MAPTALDH1A1LMNANPC1RAB9A

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
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed