SCHEMBL13737166

SCHEMBL13737166

CCc1cc(N2CCOCC2)cc2c1Nc1c(CC)cc(N3CCSCC3)cc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LGMN Q99538 1/20 0.41
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.33
ATM Q13315 1/20 0.33
MTOR P42345 2/20 0.33
LMNA P02545 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 2/20 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
SCHEMBL13386162 0.90 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HPGD
Iodide SCHEMBL13386326 0.89 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386254 0.85 MAPT (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386320 0.83 LMNA (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386392 0.83 LGMN (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386113 0.83 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2594059 0.82 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16004713 0.82 MAPT (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386124 0.82 MAPT (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13386157 0.81 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-A1 ANTIVIRAL COMPOUNDS Prosetta Antiviral Inc. (US) 2014-02-26 EP disclosed
WO-2012145567-A1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC. (US) 2012-10-26 WO disclosed