SCHEMBL9711964

SCHEMBL9711964

O=Cc1ccccc1SOO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRC P12931 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ERN1 O75460 3/20 0.38
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 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
SCHEMBL9711937 0.79 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL8973253 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL3196146 0.75 KMT2A (0.60) LMNAKMT2AMEN1THRBBLM
SCHEMBL173014 0.71 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL13893056 0.71 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL9732046 0.71 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL29517618 0.71 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL18627019 0.71 LMNA (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL9711982 0.71 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL16935337 0.70 LMNA (0.52) LMNAKMT2AMEN1THRBBLM

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
EP-0309839-B1 PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-04 EP claimed
EP-0309839-A1 Process for the preparation of oxyethyl mercaptobenzaldehydes, and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP claimed