SCHEMBL2477460

SCHEMBL2477460

Oc1cccc(O)c1C#Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CHAT P28329 1/20 0.47
GRM5 P41594 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ERN1 O75460 1/20 0.39
ACACB O00763 1/20 0.39
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
PAK1 Q13153 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL28797628 0.89 PTPN22 (0.47) CYP1A2CHATGRM5PTPN22MAPT
SCHEMBL2474670 0.88 CYP1A2 (0.58) CYP1A2CHATGRM5PTPN22MAPT
SCHEMBL2471315 0.85 CYP1A2 (0.54) CYP1A2CHATGRM5PTPN22MAPT
SCHEMBL29798114 0.84 CHAT (0.53) CYP1A2CHATGRM5MAPTCA1
SCHEMBL2776015 0.83 CHAT (0.60) CYP1A2CHATGRM5MAPTCA1
SCHEMBL29661843 0.83 CHAT (0.60) CYP1A2CHATGRM5MAPTCA1
SCHEMBL6364668 0.81 CHAT (0.58) CYP1A2CHATGRM5MAPTCA1
SCHEMBL2473787 0.77 CHAT (0.44) CYP1A2CHATGRM5PTPN22MAPT
SCHEMBL2474672 0.76 CHAT (0.58) CYP1A2CHATGRM5MAPTGAA
SCHEMBL28557801 0.76 TRPM4 (0.44) CYP1A2PTPN22MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086385-A9 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-10-07 WO claimed
WO-2010086385-A1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-08-05 WO claimed
WO-2010087742-A1 ACETYLENIC AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2010-08-05 WO claimed
WO-2010074625-A1 ACETYLENIC AROMATIC POLYETHER NEXAM CHEMICAL AB (SE) 2010-07-01 WO claimed
WO-2010071532-A1 ACETYLENIC PHENOL-ALDEHYDE RESIN NEXAM CHEMICAL AB (SE) 2010-06-24 WO claimed
WO-2010030216-A1 ACETYLENIC POLY(ALKYLENE PHTHALATE) NEXAM CHEMICAL AB (SE) 2010-03-18 WO claimed
EP-2373721-B1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2014-06-25 EP disclosed
EP-2391666-B1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2013-08-28 EP disclosed
EP-2373721-A1 ACETYLENIC AROMATIC POLYETHERKETONE Nexam Chemical AB (SE) 2011-10-12 EP disclosed
WO-2010086385-A9 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-10-07 WO disclosed
WO-2010086385-A1 CROSS-LINKABLE AROMATIC POLYCARBONATE NEXAM CHEMICALS AB (SE) 2010-08-05 WO disclosed
WO-2010087742-A1 ACETYLENIC AROMATIC POLYCARBONATE NEXAM CHEMICAL AB (SE) 2010-08-05 WO disclosed
WO-2010074625-A1 ACETYLENIC AROMATIC POLYETHER NEXAM CHEMICAL AB (SE) 2010-07-01 WO disclosed
WO-2010072760-A1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2010-07-01 WO disclosed
WO-2010071532-A1 ACETYLENIC PHENOL-ALDEHYDE RESIN NEXAM CHEMICAL AB (SE) 2010-06-24 WO disclosed
WO-2010030216-A1 ACETYLENIC POLY(ALKYLENE PHTHALATE) NEXAM CHEMICAL AB (SE) 2010-03-18 WO disclosed