SCHEMBL7648977

SCHEMBL7648977

N#CC1CN1.O=CNc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 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
Formanilide SCHEMBL7025878 0.82 ALDH1A1 (0.59) GAALMNAALDH1A1MAPTNPC1
SCHEMBL196727 0.81
Hydrochloric Acid SCHEMBL28069204 0.79 GAA (0.53) GAALMNAALDH1A1TP53NPC1
Hydrochloric Acid SCHEMBL26619691 0.79 GAA (0.53) GAALMNAALDH1A1TP53NPC1
SCHEMBL7029152 0.70 NPC1 (0.39) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL10861712 0.65 GAA (0.49) GAALMNAALDH1A1MAPTTP53
SCHEMBL10861721 0.65 GAA (0.49) GAALMNAALDH1A1MAPTTP53
SCHEMBL3954733 0.65 GAA (0.57) GAALMNACYP11B1CYP11B2ALDH1A1
SCHEMBL2654544 0.65 CNR1 (0.52) CYP11B1CYP11B2ALDH1A1MEN1
SCHEMBL28112593 0.64 TP53 (0.46) GAALMNAALDH1A1TP53NPC1

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
WO-2002041871-A2 COMPOSITION COMPRISING AN IMEXON OR DERIVATIVES THEREOF AND LIPIDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-05-30 WO disclosed