SCHEMBL17058035

SCHEMBL17058035

CCOCC(COCC)Oc1c(N2CCN([S+]([O-])C(C)C)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ DCTPP1 Q9H773 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL17058381 0.93 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058121 0.82 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058081 0.80 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057807 0.80 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058157 0.80 SMN1; SMN2 (0.42) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058050 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057884 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058013 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057912 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058139 0.79 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAPOLBKMT2A

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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