SCHEMBL9788995

SCHEMBL9788995

N=C(N)N(Cc1ccccc1)c1nc(-c2ccc[nH]2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.50
ATP4B P51164 2/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
GSTO1 P78417 3/20 0.46
CPB1 P15086 1/20 0.45
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PTPRB P23467 2/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
GRIN2D O15399 1/20 0.35

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
SCHEMBL9788978 0.81 ATP4A (0.53) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9789059 0.81 ATP4A (0.53) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL8974692 0.80 KMT2A (0.49) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9789061 0.79 KMT2A (0.54) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9789066 0.78 ATP4A (0.53) ATP4AATP4BKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL9789012 0.77 ATP4A (0.54) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9792753 0.75 KMT2A (0.57) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9789098 0.73 ATP4A (0.57) ATP4AATP4BKMT2AGSTO1MAPT
SCHEMBL7389239 0.72 KMT2A (0.56) ATP4AATP4BKMT2AMEN1L3MBTL1
SCHEMBL9789097 0.71 ATP4A (0.59) ATP4AATP4BKMT2AMEN1MAPT

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