SCHEMBL13466406

SCHEMBL13466406

COCCNCc1ccc(C(C)C)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HTT P42858 1/20 0.37
▸ TLR7 Q9NYK1 4/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ IL6 P05231 3/20 0.33

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
SCHEMBL16131130 0.80 CHRM2 (0.38) L3MBTL1TLR7MEN1KMT2AMLYCD
SCHEMBL14665823 0.80 L3MBTL1 (0.42) L3MBTL1HTTTLR7MEN1KMT2A
SCHEMBL20332789 0.79 L3MBTL1 (0.39) L3MBTL1HTTMEN1KMT2A
SCHEMBL14659877 0.78 TLR7 (0.42) L3MBTL1HTTTLR7KDM4ERECQL
SCHEMBL17409833 0.77 TLR7 (0.46) L3MBTL1HTTTLR7MEN1KMT2A
SCHEMBL17403532 0.76 KMT2A (0.39) L3MBTL1HTTTLR7MEN1KMT2A
SCHEMBL10223307 0.76 L3MBTL1 (0.97) L3MBTL1HTTMEN1KMT2ANPC1
SCHEMBL13466404 0.75 NPC1 (0.40) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL18744469 0.75 ESR1 (0.42) L3MBTL1MEN1KMT2ANPC1RECQL
SCHEMBL22404254 0.75 HCAR3 (0.56) L3MBTL1TLR7MEN1KMT2ANPC1

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-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — WO disclosed
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