SCHEMBL8727404

SCHEMBL8727404

COc1cc(-n2ccnc2)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 3/20 0.50
CYP19A1 P11511 2/20 0.49
ENPP2 Q13822 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HTT P42858 1/20 0.46
CYP17A1 P05093 1/20 0.46
CYP21A2 P08686 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 5/20 0.43
BAZ2B Q9UIF8 1/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CGAS Q8N884 1/20 0.42

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
SCHEMBL8337467 0.84 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL20854613 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL27388547 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL29186518 0.77 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL30050066 0.77 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL1911845 0.77 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
Benzene SCHEMBL27999058 0.77 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL31138008 0.77 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL14483736 0.77 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1ENPP2MKNK1
SCHEMBL15476234 0.76 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1ENPP2MKNK1

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
US-5776714-A USED TO REMOVE THE BIAS CAUSED BY PRESENCE OF HEMOGLOBIN IN TEST SPECIMENS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS INC. (US) 1998-07-07 US disclosed
US-5601994-A Immunoassay with novel labeled drug hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-02-11 US disclosed
US-5578457-A QUANTITATIVE ANALYSIS JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-11-26 US disclosed
US-5527709-A Immunoassays with labeled thyronine hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-06-18 US disclosed