SCHEMBL2471106

SCHEMBL2471106

O=C1c2ccc(C#Cc3ccccc3)cc2C(=O)N1c1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.63
ESR2 Q92731 2/20 0.62
BRD4 O60885 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.53
APAF1 O14727 1/20 0.53
NR1H3 Q13133 2/20 0.52
GRM5 P41594 4/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SCN2A Q99250 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL16927161 0.93 GRM5 (0.54) ESR1ESR2MEN1KMT2APOLB
SCHEMBL7678431 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2ANR1H3
SCHEMBL20716046 0.87 ALDH1A1 (0.55) ESR1MEN1KMT2APOLBGRM5
SCHEMBL29637688 0.86 CA9 (0.66) ESR1MEN1KMT2APOLBCA12
SCHEMBL13900300 0.86 CA9 (0.66) ESR1MEN1KMT2APOLBCA12
SCHEMBL29842698 0.86 ESR1 (0.67) ESR1ESR2MEN1KMT2AHTT
SCHEMBL28505830 0.86 ESR1 (0.67) ESR1ESR2MEN1KMT2AHTT
SCHEMBL2625350 0.86 GRM5 (0.48) ESR1ESR2MEN1KMT2AGRM5
SCHEMBL15218684 0.84 ESR1 (0.64) ESR1ESR2BRD4MEN1KMT2A
SCHEMBL9967357 0.84 CA9 (0.51) ESR1MEN1KMT2APOLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674205-B Thermosetting wholly aromatic polyester imide liquid crystal and preparation method thereof 苏州大学 2020-06-16 CN disclosed
EP-2373721-B1 ACETYLENIC AROMATIC POLYETHERKETONE NEXAM CHEMICAL AB (SE) 2014-06-25 EP disclosed
EP-2373721-A1 ACETYLENIC AROMATIC POLYETHERKETONE Nexam Chemical AB (SE) 2011-10-12 EP 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
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