SCHEMBL9257073

SCHEMBL9257073

CC(C)C(=O)OCOC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)cn2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.39
F2 P00734 7/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PRSS1 P07477 4/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PLG P00747 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
F7 P08709 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
SCHEMBL9254497 0.90 F2 (0.38) F10F2NPC1RAB9APRSS1
SCHEMBL9253893 0.90 F10 (0.40) F10F2NPC1RAB9APRSS1
SCHEMBL9281623 0.88 F10 (0.36) F10F2NPC1RAB9APRSS1
SCHEMBL9253869 0.87 F2 (0.40) F10F2NPC1RAB9APRSS1
SCHEMBL9257434 0.86 NPC1 (0.42) F10F2NPC1RAB9APRSS1
SCHEMBL9259034 0.86 NPC1 (0.42) F10F2NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL9256062 0.85 NPC1 (0.41) F10F2NPC1RAB9APRSS1
SCHEMBL9288922 0.85 TDP1 (0.43) F10F2NPC1RAB9AITGB3
SCHEMBL9255799 0.84 F10 (0.41) F10F2NPC1RAB9APRSS1
SCHEMBL9251393 0.83 ITGB3 (0.52) F10F2NPC1RAB9APRSS1

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed