SCHEMBL9838446

SCHEMBL9838446

Nc1ccn(CC2CC2(CO)CO)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 6/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ PDE3A Q14432 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CACNA1F O60840 2/20 0.40
▸ ALB P02768 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CACNA1D Q01668 2/20 0.40
▸ CACNA1S Q13698 2/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ EP300 Q09472 5/20 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
SCHEMBL9396789 0.85 FGFR1 (0.41) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL30364477 0.81 FGFR1 (0.46) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL30364620 0.81 FGFR1 (0.46) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL236000 0.74 FGFR1 (0.51) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL30364544 0.74 FGFR1 (0.45) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL9837037 0.74 FGFR1 (0.48) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL11720724 0.73 FGFR1 (0.50) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL9838213 0.72 ALDH1A1 (0.43) LMNASLC29A1
SCHEMBL3680116 0.72 FGFR1 (0.52) FGFR1SLC22A6PDE3ALMNACACNA1F
SCHEMBL10834768 0.71 FGFR1 (0.41) FGFR1SLC22A6PDE3ALMNACACNA1F

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
EP-0159264-B1 ANTIVIRAL COMPOUNDS MERCK & CO. INC. (US) 1991-07-24 — — EP disclosed
US-4859680-A Pyrimidine derivatives as antiviral compounds MERCK & CO., INC. (US) 1989-08-22 — — US disclosed
US-4617304-A VIRICIDE; HERPES MERCK & CO., INC. (US) 1986-10-14 — — US disclosed
EP-0159264-A2 Antiviral compounds MERCK & CO. INC. (US) 1985-10-23 — — EP disclosed
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