SCHEMBL9789101

SCHEMBL9789101

COc1ccc2[nH]cc(-c3csc(NC(=N)NCc4ccccc4)n3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 15/20 0.69
ATP4B P51164 15/20 0.69
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ROCK1 Q13464 1/20 0.51
CGAS Q8N884 1/20 0.48

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
SCHEMBL9789069 0.87 ATP4A (0.65) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL9789104 0.86 ATP4A (0.67) ATP4AATP4BKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9788958 0.86 ATP4A (0.66) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL9789058 0.82 ATP4A (0.68) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL9792754 0.81 ATP4A (0.64) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL5150932 0.78 ATP4A (0.77) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL9789097 0.75 ATP4A (0.59) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL9788980 0.75 ATP4A (0.63) ATP4AATP4BALDH1A1LMNAMAPT
SCHEMBL9789065 0.75 ATP4A (0.63) ATP4AATP4BKMT2AMEN1ALDH1A1
SCHEMBL8974700 0.74 ROCK1 (0.47) ATP4AATP4BKMT2AMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259085-B1 2-GUANIDINO-4-ARYLTHIAZOLES FOR TREATMENT OF PEPTIC ULCERS PFIZER INC. (US) 1991-08-21 EP disclosed
US-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed
EP-0259085-A1 2-Guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1988-03-09 EP disclosed