SCHEMBL8198612

SCHEMBL8198612

N=C(N)NNCc1ccc([O])cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NOS1 P29475 1/20 0.33
▸ ST14 Q9Y5Y6 3/20 0.33
▸ TPSAB1 Q15661 4/20 0.32
▸ PRSS1 P07477 3/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ PRSS2 P07478 2/20 0.31
▸ PRSS3 P35030 2/20 0.31
▸ F10 P00742 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ F2 P00734 2/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ TMPRSS6 Q8IU80 1/20 0.31

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
SCHEMBL8198614 0.84 GFER (0.44) CYP2C19GFERESRRGCA2CA1
SCHEMBL1736142 0.80 IDO1 (0.46) NOS1
Hydrochloric Acid SCHEMBL11374590 0.79 IDO1 (0.50) CYP2C9CYP2C19LOXL2
Hydrochloric Acid SCHEMBL11369055 0.79 IDO1 (0.50) CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8803756 0.79 IDO1 (0.50) CYP2C9CYP2C19
Iodide SCHEMBL11371421 0.78 IDO1 (0.45) CYP2C9CYP2C19NOS1
Hydrochloric Acid SCHEMBL11375197 0.78 CYP3A4 (0.48) NOS1
Hydrochloric Acid SCHEMBL28170575 0.78 CYP3A4 (0.48) NOS1
SCHEMBL24211763 0.77 RAB9A (0.55) NPC1RAB9APRSS1CA2CA1
SCHEMBL23996023 0.74 ARG1 (0.49) GFERCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133279-A A 2,6-DI-T-BUTYLPHENOL DERIVATIVE FOR RENAL DISEASES, E.G., CHRONIC RENAL FAILURE, DIABETIC NEPHROPATHY GLOMERULAR NEPHRITIS, IMMUNOCOMPLEX NEPHRITIS AND ACUTE RENAL FAILURE; CYTOPROTECTIVE AGENT THAT INHIBITS THE LIPID PEROXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-17 — — US claimed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 — — EP claimed
US-6133279-A A 2,6-DI-T-BUTYLPHENOL DERIVATIVE FOR RENAL DISEASES, E.G., CHRONIC RENAL FAILURE, DIABETIC NEPHROPATHY GLOMERULAR NEPHRITIS, IMMUNOCOMPLEX NEPHRITIS AND ACUTE RENAL FAILURE; CYTOPROTECTIVE AGENT THAT INHIBITS THE LIPID PEROXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-17 — — US disclosed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 — — EP disclosed
Send feedback