SCHEMBL3164641

SCHEMBL3164641

CC1(C)Oc2cc(O)ccc2N=C2C=CC(=O)C=C21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.52
ESR2 Q92731 7/20 0.52
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.33
IDO1 P14902 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 2/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
PRMT1 Q99873 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FTO Q9C0B1 1/20 0.32

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
SCHEMBL9165781 0.77 ESR1 (0.51) ESR1ESR2ALDH1A1KDM4EMAPT
SCHEMBL562630 0.77 ALDH1A1 (0.33) ESR1ESR2ALDH1A1
SCHEMBL9171997 0.71 ESR2 (0.53) ESR1ESR2MEN1KMT2AUSP2
SCHEMBL9225122 0.71 ESR2 (0.31) ESR2
SCHEMBL8949339 0.69
SCHEMBL8949502 0.65 MAPK14 (0.31)
SCHEMBL7876604 0.65 PDE3B (0.43) ESR1ESR2
SCHEMBL9166727 0.65 ESR1 (0.38) ESR1ESR2ALDH1A1MAPT
SCHEMBL8994244 0.64 PDE3B (0.42) ESR1ESR2ALDH1A1KDM4EPOLB
SCHEMBL23767778 0.63

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
EP-1590479-B1 NUCLEIC ACID AMPLIFICATION GE HEALTHCARE BIO SCIENCES (US) 2010-11-24 EP disclosed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
US-7125671-B2 Nucleic acid amplification with terminal-phosphate labeled nucleotides GE HEALTHCARE BIO-SCIENCES CORP. (US) 2006-10-24 US disclosed
EP-1590479-A4 NUCLEIC ACID AMPLIFICATION AMERSHAM BIOSCIENCES CORP (US) 2006-04-05 EP disclosed
EP-1590479-A1 NUCLEIC ACID AMPLIFICATION Amersham Biosciences Corp. (US) 2005-11-02 EP disclosed
WO-2004072304-A1 NUCLEIC ACID AMPLIFICATION AMERSHAM BIOSCIENCES CORP (US) 2004-08-26 WO disclosed
EP-0402699-B1 Chromogenic dibenzoxazepinone and dibenzothiazepinone enzyme substrates MILES INC (US) 1995-02-22 EP disclosed
US-5183743-A Chromogenic dibenzoxazepinone and dibenzothiazepinone enzyme substrates MILES INC. (US) 1993-02-02 US disclosed
US-5104980-A CHROMOGENIC DIBENZOXAZEPINONE AND DIBENZOTHIAZEPINONE ENZYME SUBSTRATES MILES INC. (US) 1992-04-14 US disclosed