SCHEMBL14080888

SCHEMBL14080888

CCN(CC)S(=O)(=O)N1CCN(c2cnn(-c3cccc(N)c3)c(=O)c2OCC2(c3ccccc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ DCTPP1 Q9H773 3/20 0.39
▸ POLB P06746 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32

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
SCHEMBL11944495 0.92 MAPT (0.47) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944379 0.85 MAPT (0.47) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944914 0.84 POLB (0.47) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944862 0.81 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944484 0.80 MAPT (0.41) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944879 0.78 POLB (0.47) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944884 0.78 MAPT (0.48) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11945288 0.77 POLB (0.45) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944880 0.77 POLB (0.46) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944345 0.77 ALDH1A1 (0.49) MAPTALDH1A1DCTPP1POLBCYP3A4

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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
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