SCHEMBL19975981

SCHEMBL19975981

CC(C)(C)NC(=O)CCC(=O)N1CCN(S(C)(C)S)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ POLB P06746 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 5/20 0.34
▸ GAA P10253 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL19975948 0.78 ALDH1A1 (0.48) ALDH1A1ATMSMN1; SMN2RBP4ADORA3
SCHEMBL24701188 0.75 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2POLBLMNANPSR1
SCHEMBL19703868 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNA
SCHEMBL19171550 0.69 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2POLBLMNAGAA
SCHEMBL15491745 0.66 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RBP4POLBLMNA
SCHEMBL19698270 0.65 NPC1 (0.50) ALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL674446 0.64 LMNA (0.68) ALDH1A1ATMSMN1; SMN2POLBLMNA
SCHEMBL18193499 0.64 ALDH1A1 (0.56) ALDH1A1ATMSMN1; SMN2POLBLMNA
SCHEMBL13472164 0.63 LMNA (0.53) ALDH1A1ATMSMN1; SMN2POLBLMNA
SCHEMBL26448356 0.63 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2POLBMAPTTDP1

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
US-9920085-B2 Boronic acid conjugates of oligonucleotide analogues SAREPTA THERAPEUTICS, INC. (US) 2018-03-20 — — US disclosed
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