SCHEMBL2473787

SCHEMBL2473787

Oc1ccc(O)c(C#Cc2cccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.44
CYP1A2 P05177 3/20 0.44
PTPN22 Q9Y2R2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 1/20 0.41
GRM5 P41594 1/20 0.41
NQO2 P16083 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ERN1 O75460 1/20 0.40
NR1H3 Q13133 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL2474670 0.83 CYP1A2 (0.58) CHATCYP1A2PTPN22MEN1KMT2A
SCHEMBL2810389 0.79 CHAT (0.51) CHATCYP1A2MEN1KMT2AGRM5
SCHEMBL2776015 0.79 CHAT (0.60) CHATCYP1A2MEN1KMT2AGRM5
SCHEMBL29661843 0.79 CHAT (0.60) CHATCYP1A2MEN1KMT2AGRM5
SCHEMBL2474672 0.79 CHAT (0.58) CHATCYP1A2MEN1KMT2AGRM5
SCHEMBL28797628 0.77 PTPN22 (0.47) CHATCYP1A2PTPN22GRM5GAA
SCHEMBL6364668 0.77 CHAT (0.58) CHATCYP1A2MEN1KMT2AGRM5
SCHEMBL2477460 0.77 CYP1A2 (0.54) CHATCYP1A2PTPN22MEN1KMT2A
SCHEMBL2471315 0.77 CYP1A2 (0.54) CHATCYP1A2PTPN22MEN1KMT2A
SCHEMBL14597455 0.75 NR1H3 (0.45) MEN1KMT2AMAPTKDM4EALDH1A1

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