SCHEMBL16004687

SCHEMBL16004687

Fc1cc(N2CCOCC2)cc2c1Nc1ccc(N3CCCC3)cc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LGMN Q99538 3/20 0.38
PRKDC P78527 3/20 0.37
PDK2 Q15119 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
RPS6KA3 P51812 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
LMNA P02545 1/20 0.34

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
Hydrochloric Acid SCHEMBL13386452 0.99 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1NPSR1LGMN
SCHEMBL16004704 0.96 LGMN (0.40) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC
Hydrochloric Acid SCHEMBL13386331 0.95 LGMN (0.40) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC
SCHEMBL16004697 0.85 SLC2A1 (0.37) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC
Hydrochloric Acid SCHEMBL13386137 0.84 SLC2A1 (0.37) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC
Hydrochloric Acid SCHEMBL13386103 0.83 KDM4E (0.37) MAPTSMN1; SMN2ALDH1A1LGMNNPC1
SCHEMBL13386284 0.81 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1LGMNNPC1
SCHEMBL13386113 0.79 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1NPSR1LGMN
SCHEMBL13386249 0.79 LGMN (0.38) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC
SCHEMBL13386292 0.79 LGMN (0.38) MAPTSMN1; SMN2ALDH1A1LGMNPRKDC

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