SCHEMBL17058464

SCHEMBL17058464

CC1(COc2c(N3CCN([S+]([O-])Cc4ccc5cccnc5c4[N+](=O)O)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.32
▸ DCTPP1 Q9H773 4/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ GAA P10253 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
SCHEMBL17058438 0.83 SMN1; SMN2 (0.36) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058224 0.81 DCTPP1 (0.40) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17057817 0.80 SMN1; SMN2 (0.38) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058483 0.80 SMN1; SMN2 (0.35) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17057981 0.80 DCTPP1 (0.33) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058174 0.80 POLB (0.34) ALDH1A1DCTPP1RXFP1SMN1; SMN2POLB
SCHEMBL17058191 0.79 SMN1; SMN2 (0.36) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058189 0.79 SMN1; SMN2 (0.37) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058184 0.78 ALDH1A1 (0.36) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA
SCHEMBL17058477 0.78 SMN1; SMN2 (0.36) ALDH1A1DCTPP1RXFP1SMN1; SMN2LMNA

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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