P-Xylene

P-Xylene

SCHEMBL9416770

Cc1ccc(C)cc1.NNS(=O)(=O)O.NNS(=O)(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11090665 0.89 KMT2A (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
Toluene SCHEMBL761209 0.88 LMNA (0.50) ALDH1A1MEN1MAPTKMT2ACA1
Toluene SCHEMBL9416863 0.88 LMNA (0.50) ALDH1A1MEN1MAPTKMT2ACA1
SCHEMBL11094452 0.87 TEAD4 (0.52) ALDH1A1MEN1MAPTKMT2ACA1
P-Xylene SCHEMBL27791681 0.80 GAA (0.58) ALDH1A1MEN1KMT2ACA1CA2
P-Xylene SCHEMBL2456088 0.80 GAA (0.58) ALDH1A1MEN1KMT2ACA1CA2
P-Xylene SCHEMBL27484841 0.77 GAA (0.55) ALDH1A1MEN1KMT2ACA1CA2
P-Xylene SCHEMBL2020013 0.77 GAA (0.55) ALDH1A1MEN1KMT2ACA1CA2
P-Xylene SCHEMBL28218862 0.77 GAA (0.55) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL29225799 0.77 ACHE (0.65) ALDH1A1MEN1MAPTKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407886-B1 Method for producing plastic hollow parts with foamed walls HOECHST AG (DE) 1994-02-23 EP disclosed
EP-0407886-A2 Method for producing plastic hollow parts with foamed walls HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-16 EP disclosed