SCHEMBL11519481

SCHEMBL11519481

COC(=O)c1ccc(NC(=O)CSC(C)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
RAB9A P51151 3/20 0.63
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 6/20 0.59
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
RGS12 O14924 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 4/20 0.55
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL12807724 0.87 MAPT (0.56) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL12127474 0.86 MEN1 (0.66) MEN1KMT2ARAB9AGAAHTT
SCHEMBL11520703 0.85 MEN1 (0.64) MEN1KMT2ARAB9AGAAHTT
SCHEMBL11518945 0.84 GAA (0.54) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL12201220 0.83 L3MBTL1 (0.61) MEN1KMT2ARAB9AHTTMAPT
SCHEMBL11521462 0.82 RAB9A (0.65) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL10914085 0.80 MEN1 (0.77) MEN1KMT2ARAB9AHTTMAPT
SCHEMBL21590314 0.80 MEN1 (0.83) MEN1KMT2ARAB9AHTTMAPT
SCHEMBL8661871 0.80 MEN1 (0.82) MEN1KMT2ARAB9AGAAMAPT
SCHEMBL8401925 0.78 KMT2A (0.79) MEN1KMT2ARAB9AGAAMAPT

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-4178301-A 4-(2-(ACETYLTHIO)ACETAMIDO)BENZOIC ACID AS MUCOLYTIC AGENT MEAD JOHNSON & COMPANY (US) 1979-12-11 US disclosed
US-4132802-A LIQUEFACTION OF MUCUS MEAD JOHNSON & COMPANY (US) 1979-01-02 US disclosed
US-4096277-A Mucolytic mercaptoacylamidobenzamides and process of using same MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4005222-A Mucolytic mercaptoacylamidobenzoic and benzenesulfonic acid compounds and process MEAD JOHNSON & COMPANY (US) 1977-01-25 US disclosed