SCHEMBL6517787

SCHEMBL6517787

CCc1cc2c(cc1[N+](=O)[O-])OCO2.O=C(O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.51
MCL1 Q07820 1/20 0.51
SRC P12931 1/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PDK1 Q15118 1/20 0.43
MET P08581 1/20 0.43
MAPK1 P28482 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
SCHEMBL126110 0.91 MAPT (0.61) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL121810 0.81 MEN1 (0.54) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL9061372 0.79 KMT2A (0.49) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL669313 0.79 MAPT (0.59) ALDH1A1KMT2AMEN1MAPTL3MBTL1
Methane SCHEMBL9392239 0.78 MAPT (0.57) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5144376 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL3894477 0.77 MAPT (0.57) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL9834050 0.77 PDGFRB (0.58) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL29042545 0.76 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL10858330 0.76 MAPT (0.56) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050208517-A1 Hybridization and sequencing of nucleic acids AFFYMETRIX, INC. 2005-09-22 US disclosed
US-6852488-B2 Identifying a base in a nucleic acid AFFYMETRIX, INC. (US) 2005-02-08 US disclosed
US-20020177131-A1 Identifying a base in a nucleic acid AFFYMETRIX, INC. 2002-11-28 US disclosed
EP-0705271-B1 HYBRIDIZATION AND SEQUENCING OF NUCLEIC ACIDS AFFYMETRIX INC A DELAWARE CORP (US) 2002-11-13 EP disclosed
US-6284460-B1 NUCLEIC ACID PROBES; FOR BIOSYNTHESIS, HYBRIDIZATION, ANALYSIS, AND SEQUENCE DETERMINATION OF NUCLEOTIDE SEQUENCES AFFYMETRIX INC. 2001-09-04 US disclosed
US-6268152-B1 KIT FOR THE DETECTION OF PREFERENTIAL NUCLEOTIDE SEQUENCES; FOR USE IN THE DIAGNOSIS AND DETECTION OF GENETIC DISORDERS AFFYMETRIX, INC. 2001-07-31 US disclosed
EP-0705271-A4 HYBRIDIZATION AND SEQUENCING OF NUCLEIC ACIDS AFFYMAX TECH NV (AN) 1999-12-29 EP disclosed
US-5968740-A HYBRIDIZING TARGET NUCLEIC ACID AND PROBES HAVING FEWER BASES THAN TARGET, DETECTING PROBE WITH HIGHEST BINDING AFFINITY TO TARGET, THEN SELECTING FIRST SET OF PROBES EXTENDED WITH ONE NUCLEOTIDE, DETECTING PROBE WHICH BINDS STRONGEST AFFYMETRIX, INC. (US) 1999-10-19 US disclosed
EP-0705271-A1 HYBRIDIZATION AND SEQUENCING OF NUCLEIC ACIDS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-04-10 EP disclosed
WO-1995000530-A1 HYBRIDIZATION AND SEQUENCING OF NUCLEIC ACIDS AFFYMAX TECHNOLOGIES N.V. (AN) 1995-01-05 WO disclosed