SCHEMBL2126763

SCHEMBL2126763

CN(C)C(=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.46
FBP1 P09467 1/20 0.46
BRAF P15056 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
BCHE P06276 1/20 0.46
MAOB P27338 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMEM97 Q5BJF2 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
SCHEMBL8722435 0.84 CYP1B1 (0.51) CYP1B1CES2CES1CRHBPCRHR2
SCHEMBL7904469 0.83 ESR1 (0.45) CYP1B1POLBMEN1KMT2AALDH1A1
SCHEMBL9847396 0.81 KCNH2 (0.45) CYP1B1CES2CES1CRHBPCRHR2
SCHEMBL2845203 0.80 AKR1C1 (0.45) MEN1KMT2AMAPK1ALDH1A1MAPT
SCHEMBL11671464 0.80 CYP1B1 (0.56) CYP1B1CES2CES1POLBMEN1
SCHEMBL11671467 0.80 CYP1B1 (0.56) CYP1B1CES2CES1POLBMEN1
SCHEMBL7944757 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4199808 0.77 ESR1 (0.58) CYP1B1CES2MEN1KMT2ATDP1
SCHEMBL14692243 0.76 CYP1B1 (0.56) CYP1B1CES2CES1POLBMEN1
SCHEMBL10584067 0.76 CYP1B1 (0.52) CYP1B1CES2CES1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3314022-A1 EGFR ASSAY Abbott Molecular Inc. (US) 2018-05-02 EP disclosed
WO-2016210147-A1 EGFR ASSAY ABBOTT MOLECULAR INC. (US) 2016-12-29 WO disclosed
EP-2443683-A1 WRAPPED OPTOELECTRONIC DEVICES AND METHODS FOR MAKING SAME University Of Houston (US) 2012-04-25 EP disclosed
WO-2010148024-A1 WRAPPED OPTOELECTRONIC DEVICES AND METHODS FOR MAKING SAME UNIVERSITY OF HOUSTON (US) 2010-12-23 WO disclosed
EP-2203568-A1 A METHOD AND SYSTEM FOR OBTAINING ORDERED, SEGMENTED SEQUENCE FRAGMENTS ALONG A NUCLEIC ACID MOLECULE Life Technologies Corporation (US) 2010-07-07 EP disclosed
EP-2179006-A1 INORGANIC-ORGANIC COMPOSITE FLUORESCENT SUBSTANCE Karlsruher Institut für Technologie (DE) 2010-04-28 EP disclosed
WO-2009100800-A1 INORGANIC-ORGANIC COMPOSITE FLUORESCENT SUBSTANCE UNIVERSITÄT KARLSRUHE (TH) (DE) 2009-08-20 WO disclosed
WO-2009070766-A2 FUNCTIONALIZATION OF MICRO-AND NANO PARTICLES FOR SELECTIVE ATTACHMENT TO CALCIUM BIOMINERAL SURFACES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-06-04 WO disclosed
WO-2009055508-A1 A METHOD AND SYSTEM FOR OBTAINING ORDERED, SEGMENTED SEQUENCE FRAGMENTS ALONG A NUCLEIC ACID MOLECULE Life Technologies Corporation (US) 2009-04-30 WO disclosed
US-4894263-A Mesomorphic polymer material usable in non linear optics THOMSON-CSF (FR) 1990-01-16 US disclosed
EP-0338845-A2 Nonlinear optical materials NIPPON OIL CO., LTD. (JP) 1989-10-25 EP disclosed