SCHEMBL4354653

SCHEMBL4354653

O=C(Oc1ccccc1)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
NSD2 O96028 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
PARP10 Q53GL7 1/20 0.47
ALOX5 P09917 1/20 0.46
SERPINE1 P05121 1/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
GALR1 P47211 1/20 0.45
PTPN11 Q06124 1/20 0.44

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
SCHEMBL10411916 0.92 MAPT (0.51) MAPTTDP1NSD2MAPK1ALDH1A1
SCHEMBL3849164 0.85 MAPT (0.51) MAPTTDP1NSD2MAPK1ALDH1A1
SCHEMBL8394217 0.85 PRSS1 (0.54) MAPTTDP1NSD2MAPK1ALDH1A1
SCHEMBL1637173 0.85 MAPT (0.51) MAPTTDP1NSD2MAPK1ALDH1A1
SCHEMBL4811366 0.85 MAPT (0.46) MAPTTDP1NSD2MAPK1ALDH1A1
SCHEMBL19168001 0.84 PARP10 (0.56) MAPTTDP1NSD2ALDH1A1KMT2A
SCHEMBL18561127 0.84 PARP10 (0.61) MAPTTDP1NSD2ALDH1A1KMT2A
SCHEMBL4361160 0.84 PARP10 (0.56) MAPTTDP1NSD2ALDH1A1KMT2A
SCHEMBL18561129 0.84 PARP10 (0.61) MAPTTDP1NSD2ALDH1A1KMT2A
SCHEMBL69684 0.84 NSD2 (0.63) MAPTTDP1NSD2MAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-7345135-B2 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2008-03-18 US disclosed
US-20040191602-A1 Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin MITSUI CHEMICALS, INC. (JP) 2004-09-30 US disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed