SCHEMBL17058189

SCHEMBL17058189

CC1(COc2c(N3CCN([S+]([O-])Cc4cccc(O)c4N)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ DCTPP1 Q9H773 4/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A2 P11168 1/20 0.32
▸ SLC2A3 P11169 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 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
SCHEMBL17058477 0.92 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058451 0.90 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058481 0.90 DCTPP1 (0.41) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17057817 0.90 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058438 0.88 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058184 0.87 ALDH1A1 (0.36) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058191 0.85 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058535 0.84 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058483 0.84 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058487 0.84 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2ANPC1

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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