SCHEMBL17058165

SCHEMBL17058165

CCC[S+]([O-])N1CCN(c2cnn(-c3cccc(F)c3)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SLC2A1 P11166 2/20 0.37
▸ SLC2A3 P11169 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SLC2A2 P11168 1/20 0.34

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
SCHEMBL17058256 0.91 POLB (0.37) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17057868 0.88 POLB (0.38) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058151 0.88 POLB (0.36) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058135 0.87 SLC2A1 (0.35) POLBALDH1A1SMN1; SMN2KDM4ESLC2A1
SCHEMBL17058291 0.85 ALDH1A1 (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945055 0.82 MAPT (0.48) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058371 0.82 ALDH1A1 (0.42) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11943850 0.82 HPGDS (0.52) ALDH1A1SMN1; SMN2KDM4EPKMLMNA
SCHEMBL17058480 0.82 POLB (0.38) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058300 0.81 POLB (0.35) POLBCYP3A4CYP2C19PPARGNCOA2

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
Send feedback