SCHEMBL10340400

SCHEMBL10340400

CCCCCN(C(=N)N)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MGLL Q99685 1/20 0.37
DNM1 Q05193 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL10591946 0.98 CA12 (0.44) CA12CA1CA2CA9SPHK2
SCHEMBL11727322 0.88 FAAH (0.46) HSD17B10MEN1KMT2A
SCHEMBL27971354 0.82 SPHK2 (0.44) CA12CA1CA2CA9SPHK2
SCHEMBL1206201 0.79 SPHK1 (0.40) CA12CA1CA9SPHK2SPHK1
SCHEMBL3080933 0.78 ALDH1A1 (0.36) CA12CA1CA2CA9SPHK2
SCHEMBL10892938 0.76 CA12 (0.42) CA12CA1CA2CA9MGLL
SCHEMBL10975326 0.74 HRH4 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL31601713 0.73 MEN1 (0.52) SPHK2SPHK1DNM1NOS1GRIN2D
SCHEMBL10974724 0.73 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL88538 0.73 GRIN2D (0.49) CA12CA1CA2CA9SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178121-B1 IMPROVED FORMULATION OF ANTIINFLAMMATORY DRUGS PFIZER INC. (US) 1990-06-13 EP disclosed
EP-0178822-B1 2-GUANIDINO-4-(2-METHYL-4-IMIDAZOLYL)THIAZOLES IN THE TREATMENT OF RHEUMATOID ARTHRITIS PFIZER INC. (US) 1990-01-17 EP disclosed
US-4636498-A OXICAMS, ANTIULCER, ANTISECRETORY 2-GUANIDINO-4-(4-IMIDAZOLYL) THIAZOLES PFIZER INC. (US) 1987-01-13 US disclosed
US-4591595-A 2-guanidino-4-(2-methyl-4-imidazolyl)thiazoles in the treatment of rheumatoid arthritis PFIZER INC. (US) 1986-05-27 US disclosed
EP-0178822-A2 2-Guanidino-4-(2-methyl-4-imidazolyl)thiazoles in the treatment of rheumatoid arthritis PFIZER INC. (US) 1986-04-23 EP disclosed
EP-0178121-A2 Improved formulation of antiinflammatory drugs PFIZER INC. (US) 1986-04-16 EP disclosed