SCHEMBL28022994

SCHEMBL28022994

O=[N+]([O-])c1ccc(S(=O)(=O)O)c(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NT5E P21589 2/20 0.40
PDE7A Q13946 1/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL28023601 0.93 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL19071925 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4623492 0.82 CYP1A2 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL121623 0.82 CYP1A2 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL1607341 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL29176787 0.80 NT5E (0.50) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL2015323 0.78 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL28159720 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL14021283 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL27895288 0.75 PDE7A (0.48) ALDH1A1MEN1KMT2APKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849636-B Underlayer composition for promoting self-assembly and methods of making and using AZ电子材料卢森堡有限公司 2019-09-27 CN disclosed
CN-105555815-A Underlayer composition for promoting self assembly and method of making and using AZ ELECTRONIC MAT (LUXEMBOURG) S A R L 2016-05-04 CN disclosed
CN-105492972-A Stable metal compounds as hard masks and fill materials, compositions thereof, and methods of use AZ ELECTRONIC MAT (LUXEMBOURG) S A R L 2016-04-13 CN disclosed
CN-104781262-A Stabilized metal compounds, their compositions, and methods of their use AZ ELECTRONIC MATERIALS LUXEMBOURG SARL 2015-07-15 CN disclosed