SCHEMBL16004704

SCHEMBL16004704

Fc1cc(N2CCOCC2)cc2c1Nc1ccc(N3CCOCC3)cc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.40
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RPS6KA3 P51812 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
LMNA P02545 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
RAD51 Q06609 2/20 0.35
PDK2 Q15119 1/20 0.35

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 SCHEMBL13386331 0.99 LGMN (0.40) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16004687 0.96 MAPT (0.39) LGMNMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL13386452 0.95 MAPT (0.39) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16004697 0.88 SLC2A1 (0.37) LGMNMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL13386137 0.87 SLC2A1 (0.37) LGMNMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL13386103 0.86 KDM4E (0.37) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13386284 0.85 MAPT (0.47) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13386113 0.81 MAPT (0.44) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13386292 0.81 LGMN (0.38) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13386249 0.81 LGMN (0.38) LGMNMAPTNPC1RAB9ASMN1; SMN2

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