SCHEMBL17058015

SCHEMBL17058015

CC1(COc2c(N3CCN(S)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.35
▸ SLC2A3 P11169 2/20 0.35
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 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
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ MCHR1 Q99705 5/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ NPBWR1 P48145 6/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ DCTPP1 Q9H773 2/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL17058540 0.91 POLB (0.41) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL17058382 0.90 SLC2A1 (0.35) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL17058202 0.89 SLC2A1 (0.36) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL14899899 0.88 USP2 (0.35) SLC2A1SLC2A3CYP3A4CYP2C19MCHR1
SCHEMBL17058276 0.87 SLC2A1 (0.34) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL11945379 0.87 NPSR1 (0.39) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL11945434 0.87 ALDH1A1 (0.45) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL17058030 0.86 SMN1; SMN2 (0.47) POLBNPSR1CYP3A4CYP2C19PPARG
SCHEMBL11944688 0.85 POLB (0.38) SLC2A1SLC2A3POLBNPSR1CYP3A4
SCHEMBL11944602 0.84 POLB (0.37) SLC2A1SLC2A3POLBNPSR1CYP3A4

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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