SCHEMBL13353089

SCHEMBL13353089

CN1CCOC12CCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ POLB P06746 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL12621871 0.86 GAA (0.59) TSHRPOLBGAAMEN1KMT2A
SCHEMBL13353201 0.82 LMNA (0.60) TSHRPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13353208 0.81 PKM (0.51) TSHRPOLBGAAMEN1KMT2A
SCHEMBL12622002 0.77 POLB (0.64) TSHRPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL22381081 0.76 PKM (0.48) TSHRPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL12939705 0.75 POLB (0.74) TSHRPOLBGAAMEN1KMT2A
SCHEMBL1974783 0.75 ALDH1A1 (0.85) TSHRPOLBGAAMEN1KMT2A
SCHEMBL12626021 0.74 POLB (0.58) TSHRPOLBGAAMEN1KMT2A
SCHEMBL13202848 0.74 SMN1; SMN2 (1.00) TSHRPOLBGAAMEN1KMT2A
SCHEMBL20022000 0.74 KMT2A (1.00) TSHRPOLBGAAMEN1KMT2A

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-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 — — WO disclosed
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