SCHEMBL16004652

SCHEMBL16004652

CCc1cc(N2CCC(N)CC2)cc2c1Nc1c(C)cc(N3CCOCC3)cc1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.38
MEN1 O00255 10/20 0.38
KMT2A Q03164 10/20 0.38
MAPT P10636 10/20 0.38
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.34
ATM Q13315 2/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 2/20 0.31
HTT P42858 2/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL13386164 0.88 MEN1 (0.36) LGMNMEN1KMT2AMAPTALDH1A1
Iodide SCHEMBL13386168 0.87 MEN1 (0.36) LGMNMEN1KMT2AMAPTALDH1A1
SCHEMBL2594059 0.86 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13386157 0.84 ALDH1A1 (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13386162 0.82 MAPT (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL13386325 0.82 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL15925819 0.82 MAPT (0.45) LGMNMEN1KMT2AMAPTALDH1A1
Iodide SCHEMBL13386230 0.81 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
Iodide SCHEMBL13386326 0.81 MAPT (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16004713 0.81 MAPT (0.39) LGMNMEN1KMT2AMAPTALDH1A1

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-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 US claimed