SCHEMBL19339883

SCHEMBL19339883

CCCNCc1ncc(C2CCN(c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)cc3)CC2)n1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.32
THRB P10828 2/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP13 P45452 1/20 0.31
JAK2 O60674 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DGAT1 O75907 1/20 0.31
MAPT P10636 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
SCHEMBL2706309 0.90 ALDH1A1 (0.35) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL9977257 0.87 ALDH1A1 (0.33) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL13070715 0.84 HDAC8 (0.32) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9281762 0.82 ALDH1A1 (0.41) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL9213899 0.79 KMT2A (0.43) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL2708771 0.79 KMT2A (0.43) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL690316 0.77 ALDH1A1 (0.39) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL15746346 0.76 ALDH1A1 (0.35) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL690647 0.76 ALDH1A1 (0.38) TP53ALDH1A1LMNAGLAMEN1
SCHEMBL690646 0.76 ALDH1A1 (0.38) TP53ALDH1A1LMNAGLAMEN1

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
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed