SCHEMBL28600352

SCHEMBL28600352

Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 4/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKBIA P25963 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
RELA Q04206 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28006670 0.85 ALDH1A1 (0.48) LMNAALDH1A1KDM4EF2MAPT
SCHEMBL9007689 0.81 PAX8 (0.49) LMNAALDH1A1MAPTTSHRCYP3A4
SCHEMBL27685985 0.77 ACHE (0.46) ALDH1A1KDM4EF2MAPTTSHR
SCHEMBL11848868 0.76 TSHR (0.56) LMNAALDH1A1MAPTTSHRCYP3A4
SCHEMBL28006672 0.76 LMNA (0.56) LMNAALDH1A1KDM4EF2MAPT
SCHEMBL29134055 0.75 KMT2A (0.67) LMNAALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL10423808 0.74 HSPB1 (0.56) LMNAALDH1A1MAPTTSHRCYP3A4
SCHEMBL473121 0.73 SMN1; SMN2 (0.43) ALDH1A1F2MAPTTSHRSMN1; SMN2
SCHEMBL29052062 0.72 PAX8 (0.44) LMNAALDH1A1MAPTTSHRCYP3A4
SCHEMBL28595101 0.72 TDP1 (0.50) ALDH1A1MAPTTSHRSMN1; SMN2TDP1

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-109843935-B Dispersion liquid 住友化学株式会社 2021-07-27 CN disclosed