SCHEMBL17058415

SCHEMBL17058415

CON1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCC(F)C2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.37
▸ SLC2A3 P11169 4/20 0.37
▸ MCHR1 Q99705 3/20 0.33
▸ NPBWR1 P48145 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ DCTPP1 Q9H773 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17057942 0.90 POLB (0.42) SLC2A1SLC2A3MCHR1NPBWR1SMN1; SMN2
SCHEMBL11945843 0.87 ALDH1A1 (0.46) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11945844 0.87 ALDH1A1 (0.46) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL17058083 0.87 HTR1A (0.35) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL17058078 0.87 HTR1A (0.35) SLC2A1SLC2A3SMN1; SMN2POLBLMNA
SCHEMBL11944360 0.85 CYP3A4 (0.38) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11944476 0.85 SLC2A1 (0.33) SLC2A1SLC2A3MCHR1NPBWR1SMN1; SMN2
SCHEMBL11944477 0.85 POLB (0.37) SLC2A1SLC2A3MCHR1NPBWR1SMN1; SMN2
SCHEMBL11945849 0.85 POLB (0.37) SLC2A1SLC2A3MCHR1SMN1; SMN2POLB
SCHEMBL11945850 0.85 POLB (0.37) SLC2A1SLC2A3MCHR1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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