SCHEMBL9788980

SCHEMBL9788980

Cc1[nH]ccc1-c1csc(NC(=N)NCc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 11/20 0.63
ATP4B P51164 11/20 0.63
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 2/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8974700 0.81 ROCK1 (0.47) ATP4AATP4BROCK1ROCK2ALDH1A1
SCHEMBL9789001 0.81 ATP4A (0.61) ATP4AATP4BROCK1ROCK2RAB9A
SCHEMBL9789065 0.80 ATP4A (0.63) ATP4AATP4BROCK1ROCK2ALDH1A1
SCHEMBL9789069 0.80 ATP4A (0.65) ATP4AATP4BROCK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10454848 0.80 ROCK1 (0.46) ATP4AATP4BROCK1ROCK2ALDH1A1
Hydrochloric Acid SCHEMBL9788958 0.80 ATP4A (0.66) ATP4AATP4BROCK1ALDH1A1KDM4E
SCHEMBL3807660 0.78 ATP4A (0.61) ATP4AATP4BMAPT
SCHEMBL9789104 0.75 ATP4A (0.67) ATP4AATP4BROCK1ALDH1A1KDM4E
SCHEMBL9789101 0.75 ATP4A (0.69) ATP4AATP4BROCK1ALDH1A1MAPT
SCHEMBL9792754 0.74 ATP4A (0.64) ATP4AATP4BROCK1ROCK2ALDH1A1

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