SCHEMBL12936637

SCHEMBL12936637

CCN(CC[N+](CC)(CC)CC)c1ccc(/N=N/c2sc(C#N)c(C)c2C#N)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ KDR P35968 1/20 0.31

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
SCHEMBL12936491 0.96 MEN1 (0.36) MEN1NPC1LMNAPOLBMAPT
SCHEMBL16731750 0.94 MEN1 (0.31) MEN1NPC1LMNAPOLBMAPT
SCHEMBL16731746 0.93 MEN1 (0.33) MEN1NPC1LMNAPOLBMAPT
SCHEMBL7602572 0.91 MEN1 (0.30) MEN1NPC1LMNAPOLBMAPT
SCHEMBL5567172 0.90 — —
SCHEMBL14234142 0.89 MAPT (0.35) MEN1NPC1LMNAPOLBMAPT
SCHEMBL12175375 0.89 S100B (0.37) MEN1NPC1LMNAPOLBMAPT
SCHEMBL17902691 0.88 MEN1 (0.32) MEN1NPC1LMNAPOLBMAPT
SCHEMBL18357533 0.87 KDR (0.39) MEN1NPC1LMNAPOLBMAPT
SCHEMBL16863782 0.87 MAPT (0.46) MEN1NPC1LMNAPOLBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 — — US disclosed
US-20160194499-A1 Thiophene Azo Dyes and Laundry Care Compositions Containing the Same MILLIKEN & COMPANY 2016-07-07 — — US disclosed
WO-2011017719-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & COMPANY (US) 2011-02-10 — — WO disclosed
WO-2011011799-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2011-01-27 — — WO disclosed
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