SCHEMBL5530591

SCHEMBL5530591

Oc1c2ccccc2cc2ccccc12.Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.48
TRPM4 Q8TD43 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 3/20 0.48
IDO1 P14902 2/20 0.48
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
ALOX5 P09917 1/20 0.44
NQO2 P16083 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3935 0.84 IDO1 (0.68) CYP1A2CYP2A6IDO1KDM4EMAPT
Hydrogen Peroxide SCHEMBL9131999 0.82 IDO1 (0.65) CYP1A2CYP2A6IDO1KDM4EMAPT
Methyl Alcohol SCHEMBL27450925 0.80 IDO1 (0.62) CYP1A2CYP2A6IDO1KDM4EMAPT
SCHEMBL437148 0.79 PTPN22 (0.56) PTPN22TRPM4CYP1A2CYP2A6ALOX5
SCHEMBL29180044 0.77 PTPN22 (0.54) PTPN22TRPM4CYP1A2CYP2A6ALOX5
Methane SCHEMBL2327641 0.77 PTPN22 (0.54) PTPN22TRPM4CYP1A2ALOX5NQO2
Methane SCHEMBL155047 0.77 PTPN22 (0.54) PTPN22TRPM4CYP1A2ALOX5NQO2
Hydrogen Sulfide SCHEMBL27992660 0.77 PTPN22 (0.54) PTPN22TRPM4CYP1A2CYP2A6ALOX5
Trimethylammonium SCHEMBL6907735 0.76 IDO1 (0.56) CYP1A2CYP2A6IDO1KDM4EMAPT
Methylsulfanylmethane SCHEMBL4410531 0.76 IDO1 (0.56) CYP1A2CYP2A6IDO1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844328-A2 USE OF REVERSIBLE EXTENSION TERMINATOR IN NUCLEIC ACID SEQUENCING Pacific Biosciences of California, Inc. (US) 2007-10-17 EP disclosed
EP-1790202-A2 APPARATUS AND METHOD FOR ANALYSIS OF MOLECULES Pacific Biosciences of California, Inc. (US) 2007-05-30 EP disclosed
WO-2006083751-A2 USE OF REVERSIBLE EXTENSION TERMINATOR IN NUCLEIC ACID SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2006-08-10 WO disclosed
WO-2006044078-A2 APPARATUS AND METHOD FOR ANALYSIS OF MOLECULES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2006-04-27 WO disclosed