SCHEMBL5024877

SCHEMBL5024877

N#Cc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.60
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5026568 0.88 XDH (0.71) XDHMAOBALDH1A1
SCHEMBL30141105 0.83 KMT2A (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL3960907 0.83 KMT2A (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL2428492 0.83 TDP1 (0.54) XDHSLC6A2SLC6A3KMT2ATDP1
SCHEMBL3960881 0.81 LMNA (0.62) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1647432 0.81 TDP1 (0.58) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL8143434 0.81 HPGD (0.54) XDHLMNANPC1RAB9ASMN1; SMN2
SCHEMBL28587139 0.80 XDH (0.55) XDHMAOB
SCHEMBL1329717 0.80 XDH (0.55) XDHMAOB
SCHEMBL23226754 0.80 FFAR4 (0.59) SLC6A2SLC6A3KMT2ATDP1LMNA

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-2008092072-A2 MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-07-31 WO disclosed