SCHEMBL14081346

SCHEMBL14081346

Nc1ccccc1-n1ncc(N2CCN([S+]([O-])Cc3ccccc3)CC2)c(OC2CCCC2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KEAP1 Q14145 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
SCHEMBL17057989 0.85 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17058087 0.85 MCHR1 (0.34) NPC1RAB9ASMN1; SMN2SCN9AKMT2A
SCHEMBL17058328 0.84 NPC1 (0.35) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17057964 0.83 NPC1 (0.36) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17058333 0.83 POLB (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17058057 0.83 MAPT (0.41) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17058077 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL17058046 0.83 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL11944450 0.82 MAPT (0.42) SMN1; SMN2LMNAPOLBMAPT
SCHEMBL14899776 0.82 ADRA2C (0.48) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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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