SCHEMBL17058145

SCHEMBL17058145

CC(C)[SH]1(=O)CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2Cc3ccc(F)cc3C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.35
▸ SLC2A1 P11166 2/20 0.33
▸ SLC2A3 P11169 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ HPGDS O60760 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPBWR1 P48145 3/20 0.31
▸ TP53 P04637 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL11944847 0.84 POLB (0.40) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL17057959 0.83 SLC2A1 (0.36) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL17058125 0.82 SLC2A1 (0.36) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL11944899 0.82 ALDH1A1 (0.47) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL17058152 0.82 POLB (0.39) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL11944855 0.80 POLB (0.45) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL11944938 0.80 POLB (0.40) SLC2A1SLC2A3POLBCYP3A4CYP2C19
SCHEMBL11943821 0.80 SMN1; SMN2 (0.39) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL14899771 0.80 SMN1; SMN2 (0.49) MCHR1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL17058391 0.78 SMN1; SMN2 (0.42) MCHR1SLC2A1SLC2A3POLBCYP3A4

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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