SCHEMBL28454802

SCHEMBL28454802

O=C(O)c1cc(S)cc(C(=O)O)c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
TPMT P51580 3/20 0.46
TP53 P04637 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SELL P14151 1/20 0.46

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
SCHEMBL433003 0.97 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5378380 0.92 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL12977996 0.85 TPMT (0.44) CA12CA1CA2CA7CA9
SCHEMBL9452175 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL28172268 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL14810338 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL28155697 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL22982 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL26189 0.82 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL11820909 0.80 HCAR1 (0.59) CA12CA1CA2CA7CA9

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-107229198-B Toner for electrostatic charge image development and electrostatic charge image developer 富士施乐株式会社 2020-09-18 CN disclosed