SCHEMBL10117356

SCHEMBL10117356

CON(C)C(=O)c1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 7/20 0.37
TSHR P16473 6/20 0.37
LMNA P02545 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 2/20 0.34
GLA P06280 1/20 0.34
KLKB1 P03952 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 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
SCHEMBL10117388 0.90 ALDH1A1 (0.39) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL10117352 0.88 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL13160799 0.83 KMT2A (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL831054 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL10117561 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2450771 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL2450772 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL205382 0.83 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9281762 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL932279 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A

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-2012087976-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-06-28 WO disclosed