SCHEMBL29239042

SCHEMBL29239042

Cc1cc(N)c(N)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP6 P55212 2/20 0.39
POLB P06746 1/20 0.39
ELAVL1 Q15717 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 3/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
TTR P02766 1/20 0.37
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36

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
SCHEMBL9397362 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL11038082 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL1364945 0.83 KDM4E (0.52) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL29633914 0.83 KDM4E (0.52) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL8500961 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL10431756 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL7822498 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL11689353 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL2800811 0.78 TTR (0.39) ALDH1A1KDM4EMAPTGAATDP1
SCHEMBL9155463 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAALMNA

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
CN-118027918-A High-temperature-resistant modified mesoporous silica nano plugging agent and water-based drilling fluid 西南石油大学 2024-05-14 CN claimed
CN-118027918-A High-temperature-resistant modified mesoporous silica nano plugging agent and water-based drilling fluid 西南石油大学 2024-05-14 CN disclosed