SCHEMBL17058423

SCHEMBL17058423

CC1(COc2c(N3CCN([S+]([O-])Cc4c([N+](=O)[O-])ccc5[nH]ncc45)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ SLC6A9 P48067 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
SCHEMBL11945756 0.87 POLB (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL14899864 0.79 POLB (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945758 0.79 POLB (0.41) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058233 0.78 NPBWR1 (0.39) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058016 0.77 POLB (0.42) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058457 0.77 SMN1; SMN2 (0.34) POLBNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17057840 0.76 POLB (0.35) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058569 0.76 LIN28A (0.34) POLBKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17058400 0.76 NPSR1 (0.37) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL17058404 0.75 TP53 (0.36) 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
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