SCHEMBL16004697

SCHEMBL16004697

CN(C)c1cc(F)c2c(c1)Sc1cc(N3CCOCC3)ccc1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
MAPT P10636 7/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
LGMN Q99538 2/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
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
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.34
KIF11 P52732 3/20 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 SCHEMBL13386137 0.99 SLC2A1 (0.37) SLC2A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16004704 0.88 LGMN (0.40) MAPTRAB9ASMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL13386331 0.87 LGMN (0.40) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL16004687 0.85 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL13386452 0.84 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13386284 0.79 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5725212 0.76 HSP90AA1 (0.38) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13386113 0.76 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13386249 0.76 LGMN (0.38) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL13386292 0.76 LGMN (0.38) MAPTRAB9ASMN1; SMN2NPC1MEN1

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