SCHEMBL9401741

SCHEMBL9401741

Cc1cc(O)n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1NC=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CA12 O43570 5/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
CYTH2 Q99418 4/20 0.34
LMNA P02545 2/20 0.33
PTPN1 P18031 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MEN1 O00255 1/20 0.31
MPL P40238 1/20 0.31

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
SCHEMBL8017287 0.82 MAPT (0.42) CYP2C19LMNAKMT2AALDH1A1GAA
SCHEMBL11409092 0.75 CA1 (0.39) CYP2C19CA12CA1CA2CA9
SCHEMBL10626056 0.74 ALDH1A1 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL9401958 0.70 TTR (0.31)
SCHEMBL9401793 0.69 KDM4E (0.39) CYP2C19LMNAALDH1A1
SCHEMBL11296078 0.68 POLB (0.44) CYP2C19KMT2AALDH1A1MAPTMEN1
SCHEMBL9401780 0.67 MEN1 (0.41) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL11443266 0.67 LMNA (0.45) CYP2C19LMNAKMT2AALDH1A1MAPT
SCHEMBL11436112 0.67 CA12 (0.44) CYP2C19CA12CA1CA2CA9
SCHEMBL4650114 0.66 LMNA (0.30) LMNA

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
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed