SCHEMBL8645330

SCHEMBL8645330

COCCNC(N)=Nc1nc(-c2cccc(CNC(N)=O)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.49
ATP4B P51164 9/20 0.49
HRH2 P25021 3/20 0.46
HRH4 Q9H3N8 2/20 0.46
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL8645323 1.00 ATP4A (0.49) ATP4AATP4BHRH2HRH4ROCK2
SCHEMBL8643845 0.94 ATP4A (0.48) ATP4AATP4BHRH2HRH4ROCK2
SCHEMBL8643846 0.94 ATP4A (0.48) ATP4AATP4BHRH2HRH4ROCK2
Hydrochloric Acid SCHEMBL8648326 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4ROCK2
Hydrochloric Acid SCHEMBL8648324 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4ROCK2
Hydrochloric Acid SCHEMBL8651698 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4ROCK2
Hydrochloric Acid SCHEMBL8651701 0.93 ATP4A (0.49) ATP4AATP4BHRH2HRH4ROCK2
SCHEMBL8646457 0.92 ATP4A (0.47) ATP4AATP4BHRH2HRH4ROCK2
SCHEMBL8646465 0.92 ATP4A (0.47) ATP4AATP4BHRH2HRH4ROCK2
Hydrochloric Acid SCHEMBL8646336 0.91 ATP4A (0.48) ATP4AATP4BHRH2HRH4ROCK2

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-0545376-B1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 EP disclosed
US-5532258-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed