SCHEMBL21757560

SCHEMBL21757560

CNc1ccc(-c2cnco2)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.74
IMPDH1 P20839 3/20 0.65
AAK1 Q2M2I8 5/20 0.62

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
SCHEMBL6639762 0.90 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL14518599 0.87 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL25579071 0.83 AAK1 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL14518602 0.83 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL14518615 0.82 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL16416663 0.82 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL5531405 0.81 AAK1 (0.75) IMPDH2IMPDH1AAK1
SCHEMBL6170236 0.81 AAK1 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL1616816 0.81 AAK1 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6172224 0.81 IMPDH2 (0.89) IMPDH2

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-3902798-B1 N-(4-(OXAZOL-5-YL)PHENYL)CHROMANE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS STIMULATORS OF THE PRODUCTION OF RETINAL PRECURSOR CELLS FOR THE TREATMENT OF NEURORETINAL DISEASES ENDOGENA THERAPEUTICS INC (US) 2023-12-20 EP disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed