SCHEMBL2914683

SCHEMBL2914683

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 9/20 0.74
JUN P05412 3/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
HDAC3 O15379 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MAPT P10636 2/20 0.62
P2RX4 Q99571 1/20 0.58
P2RX7 Q99572 1/20 0.58
GPR35 Q9HC97 1/20 0.56
TMPRSS4 Q9NRS4 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL28329635 0.88 P2RX1 (0.64) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL30554615 0.88 P2RX1 (0.65) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL3246188 0.88 P2RX1 (0.65) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL23447713 0.85 P2RX1 (1.00) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL18063649 0.85 P2RX1 (0.68) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL11799771 0.83 P2RX1 (0.71) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL19638212 0.83 P2RX1 (0.71) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL5227631 0.83 P2RX1 (1.00) P2RX1MAPTRXFP1LMNA
SCHEMBL28217080 0.83 PTGS1 (0.77) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL23303437 0.82 P2RX1 (0.63) P2RX1JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732198-B2 Mono- and multi-layer blown films BASF SE (DE) 2017-08-15 US disclosed
US-20170081486-A1 Mono- and Multi-Layer Blown Films BASF SE (DE) 2017-03-23 US disclosed
US-20160136871-A1 Mono- and Multi-Layer Blown Films BASF SE (DE) 2016-05-19 US disclosed
US-9278487-B2 Mono-and multi-layer blown films BASF SE (DE) 2016-03-08 US disclosed
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20130161875-A1 MONO-AND MULTI-LAYER BLOWN FILMS BASF SE (DE) 2013-06-27 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed
EP-2026965-B1 MONO- AND MULTI-LAYER BLOWN FILMS BASF SE (DE) 2010-09-01 EP disclosed
US-20090208718-A1 Mono-and multi-layer blown films CIBA CORP. 2009-08-20 US disclosed