SCHEMBL15926417

SCHEMBL15926417

CCON(OCC)c1cc(C)c2c(c1)Sc1cc(N3CCOCC3)cc(C)c1N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
MAPT P10636 8/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 7/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 3/20 0.32
LGMN Q99538 1/20 0.31
CACNA2D1 P54289 1/20 0.30
HPGD P15428 3/20 0.30

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
SCHEMBL15926416 0.84 KDM4E (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15925819 0.83 MAPT (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13386268 0.81 KMT2A (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13386335 0.80 MAPT (0.43) MEN1KMT2AMAPTNPC1RAB9A
Iodide SCHEMBL13386230 0.79 MEN1 (0.36) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15925818 0.79 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17896427 0.79 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL16004720 0.78 KDM4E (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13386392 0.78 LGMN (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13386208 0.78 ADRB1 (0.44) MEN1KMT2AMAPTNPC1RAB9A

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-8796448-B1 Compounds, compositions, and methods for treating Alzheimer's disease PROSETTA ANTIVIRAL INC. (US) 2014-08-05 US disclosed