SCHEMBL3309129

SCHEMBL3309129

COc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 3/20 0.63
RPS6KA3 P51812 1/20 0.51
PTGS2 P35354 3/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
PTGS1 P23219 2/20 0.47
CYP19A1 P11511 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PSMD14 O00487 1/20 0.45
BRD4 O60885 1/20 0.43
ENPP2 Q13822 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL3309127 1.00 PHLPP2 (0.63) PHLPP2RPS6KA3PTGS2CA1CA2
SCHEMBL3304010 0.86 PHLPP2 (0.48) PHLPP2CA1CA2MEN1KMT2A
SCHEMBL3304015 0.86 PHLPP2 (0.48) PHLPP2CA1CA2MEN1KMT2A
SCHEMBL9017465 0.85 SENP3 (0.52) PHLPP2CA1CA2POLBCYP19A1
SCHEMBL9017464 0.85 SENP3 (0.52) PHLPP2CA1CA2POLBCYP19A1
SCHEMBL8729266 0.85 PHLPP2 (0.62) PHLPP2RPS6KA3PTGS2CA2POLB
SCHEMBL14022704 0.83 PTGS2 (0.69) PHLPP2RPS6KA3PTGS2CA1CA2
SCHEMBL3306473 0.83 PTGS2 (0.69) PHLPP2RPS6KA3PTGS2CA1CA2
SCHEMBL3306476 0.83 PTGS2 (0.69) PHLPP2RPS6KA3PTGS2CA1CA2
SCHEMBL14022705 0.83 PHLPP2 (0.57) PHLPP2RPS6KA3PTGS2CA2POLB

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
US-9404001-B2 Photochromic latex ink XEROX CORPORATION (US) 2016-08-02 US disclosed
US-20150153479-A1 PHOTOCHROMIC LATEX INK XEROX CORPORATION (US) 2015-06-04 US disclosed
US-7708396-B2 Photochromic phase change inks XEROX CORPORATION (US) 2010-05-04 US disclosed
US-20070211124-A1 PHOTOCHROMIC PHASE CHANGE INKS XEROX CORPORATION (US) 2007-09-13 US disclosed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed