SCHEMBL12683233

SCHEMBL12683233

CC(C)(C)OC(=O)N1CCOC[C@H]1c1cnc(-c2ccc3c(c2)Cc2ccc(Br)cc2O3)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PIK3R1 P27986 2/20 0.30
▸ PIK3CA P42336 2/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL15372104 0.90 CNR1 (0.33) MALT1PIK3R1PIK3CA
SCHEMBL12683057 0.86 USP30 (0.32) USP30
SCHEMBL12683240 0.80 KMT2A (0.34) MALT1KMT2AUSP30SMN1; SMN2PIK3R1
SCHEMBL15372102 0.80 HCRTR1 (0.37) KMT2AUSP30
SCHEMBL12683161 0.77 KMT2A (0.38) KMT2AUSP30
SCHEMBL15372100 0.77 — —
SCHEMBL12683099 0.77 PREP (0.39) —
SCHEMBL15372103 0.75 CNR1 (0.34) MALT1KMT2APIK3CA
SCHEMBL12683101 0.73 AAK1 (0.35) KMT2A
SCHEMBL205696 0.72 KMT2A (0.47) KMT2AUSP30

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-2012050918-A2 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICAL, INC. (US) 2012-04-19 — — WO disclosed
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