SCHEMBL28958553

SCHEMBL28958553

C=Cc1ccc(NOS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PTPN1 P18031 2/20 0.34
TSHR P16473 1/20 0.33
PTPN2 P17706 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.30
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8854036 0.78 CA2 (0.39) TDP1ALDH1A1PTPN1CA2MEN1
SCHEMBL28958526 0.76 TDP1 (0.48) TDP1ALDH1A1PTPN1TSHRPTPN2
SCHEMBL28958541 0.75 PRMT1 (0.43) TDP1ALDH1A1PTPN1TSHRPTPN2
SCHEMBL943450 0.75 TDP1 (0.42) TDP1ALDH1A1PTPN1TSHRCA2
SCHEMBL28498204 0.75 CA1 (0.47) TDP1ALDH1A1PTPN1CA2GAA
SCHEMBL15116361 0.74 PTPN1 (0.58) TDP1ALDH1A1PTPN1PTPN11CA2
Hydrogen Sulfide SCHEMBL29027315 0.74 TDP1 (0.41) TDP1ALDH1A1PTPN1TSHRCA2
SCHEMBL28958586 0.73 CA2 (0.38) PTPN1PTPN11CA2
SCHEMBL28502057 0.72 CA2 (0.47) ALDH1A1CA2MEN1GAAMAPT
SCHEMBL15836448 0.71 CA2 (0.46) TDP1ALDH1A1PTPN1PTPN11CA2

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
CN-115589736-A Perovskite composite layer and solar cell 嘉庚创新实验室 2023-01-10 CN disclosed