SCHEMBL4358220

SCHEMBL4358220

O=C(c1ccc(Cl)cc1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.59
▸ NR4A1 P22736 1/20 0.55
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ADORA1 P30542 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ APP P05067 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1744898 0.88 ALDH1A1 (0.64) SRD5A2MEN1KMT2AALDH1A1LMNA
SCHEMBL50462 0.83 SRD5A2 (0.74) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL9442387 0.83 SRD5A2 (0.74) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL717633 0.83 APP (0.67) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL5072017 0.82 LMNA (0.62) SRD5A2CES2MAPK1MEN1KMT2A
SCHEMBL1814045 0.82 TSHR (0.74) SRD5A2NR4A1CES2CES1ALOX15
Hydrochloric Acid SCHEMBL4594202 0.81 SRD5A2 (0.71) SRD5A2NR4A1CES2CES1MAPK1
Hydrochloric Acid SCHEMBL4594201 0.81 SRD5A2 (0.71) SRD5A2NR4A1CES2CES1MAPK1
Bicarbonate SCHEMBL9817101 0.81 SRD5A2 (0.71) SRD5A2NR4A1CES2CES1MAPK1
SCHEMBL5744049 0.81 MAPT (0.69) SRD5A2MEN1KMT2AALDH1A1FFAR1

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
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