Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL9677285

C.CCC(C(=O)O)c1nn(-c2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12

nearest known ligand 0.51

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 16/20 0.51
▸ AKR1A1 P14550 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ GLO1 Q04760 1/20 0.51
▸ DYRK1A Q13627 1/20 0.39

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
Methane SCHEMBL10422319 0.86 AKR1B1 (0.67) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9529254 0.85 AKR1B1 (0.68) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL10585089 0.77 AKR1B1 (0.46) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL10421958 0.73 AKR1B1 (0.69) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL9674812 0.73 AKR1B1 (0.67) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL10422072 0.70 AKR1B1 (0.69) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL28930518 0.69 AKR1B1 (0.60) AKR1B1AKR1A1AKR1B10GLO1
Zopolrestat SCHEMBL8505122 0.67 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10GLO1
Zopolrestat SCHEMBL29353641 0.67 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10GLO1
Zopolrestat SCHEMBL49012 0.67 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10GLO1

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-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 — — EP disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 — — EP disclosed
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