SCHEMBL8647632

SCHEMBL8647632

COCCN/C(N)=N/c1nc(-c2cccc(CNC(=O)CNC(C)=O)c2)cs1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 10/20 0.45
ATP4B P51164 10/20 0.45
HRH2 P25021 3/20 0.42
HRH4 Q9H3N8 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8647641 1.00 ATP4A (0.45) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8643846 0.94 ATP4A (0.48) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8643845 0.94 ATP4A (0.48) ATP4AATP4BHRH2HRH4NPC1
Hydrochloric Acid SCHEMBL8651698 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4NPC1
Hydrochloric Acid SCHEMBL8651701 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8647618 0.91 ATP4A (0.46) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8647623 0.91 ATP4A (0.46) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8646457 0.91 ATP4A (0.47) ATP4AATP4BHRH2HRH4NPC1
SCHEMBL8646465 0.91 ATP4A (0.47) ATP4AATP4BHRH2HRH4NPC1
Hydrochloric Acid SCHEMBL8646336 0.90 ATP4A (0.48) ATP4AATP4BHRH2HRH4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545376-B1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 EP disclosed
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed