SCHEMBL17058481

SCHEMBL17058481

COc1cccc(C[S+]([O-])N2CCN(c3cnn(-c4ccccc4)c(=O)c3OCC3(C)CC3)CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 3/20 0.41
▸ GAA P10253 1/20 0.36
▸ SLC2A1 P11166 4/20 0.36
▸ SLC2A3 P11169 4/20 0.36
▸ SLC2A2 P11168 3/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL17058477 0.91 SMN1; SMN2 (0.36) DCTPP1GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL17058189 0.90 SMN1; SMN2 (0.37) DCTPP1GAASLC2A1SLC2A3SLC2A2
SCHEMBL17058224 0.90 DCTPP1 (0.40) DCTPP1GAASLC2A1SLC2A3SLC2A2
SCHEMBL17058451 0.90 SMN1; SMN2 (0.35) DCTPP1GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL17057817 0.89 SMN1; SMN2 (0.38) DCTPP1GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL17058438 0.87 SMN1; SMN2 (0.36) DCTPP1GAASLC2A1SLC2A3SLC2A2
SCHEMBL17058442 0.87 DCTPP1 (0.39) DCTPP1GAASLC2A1SLC2A3SLC2A2
SCHEMBL17058184 0.85 ALDH1A1 (0.36) DCTPP1GAASLC2A1SLC2A3SLC2A2
SCHEMBL17058191 0.85 SMN1; SMN2 (0.36) DCTPP1GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL17058535 0.84 SMN1; SMN2 (0.35) DCTPP1GAASLC2A1SLC2A3ALDH1A1

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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