SCHEMBL9190048

SCHEMBL9190048

COc1nc([NH])nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL329417 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL8795 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL11779604 0.76 GAA (0.30)
SCHEMBL1965758 0.73 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL479536 0.73
SCHEMBL2633403 0.71 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL9529398 0.71 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL10351075 0.71
SCHEMBL1577050 0.71 HSP90AA1 (0.50) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL7250707 0.71 TP53 (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933785-A Azo compounds CIBA-GEIGY AG (CH) 1976-01-20 US claimed
EP-0380019-B1 Methadone fluorescence polarization immunoassay ABBOTT LAB (US) 1995-11-08 EP disclosed
US-5336622-A Competitive binding using a fluorescent dye tracer; monitoring dosage in biological fluid; sensitivity; accuracy; efficiency ABBOTT LABORATORIES (US) 1994-08-09 US disclosed
US-5258512-A Immunoassay for opiate alkaloids and their metabolites; tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
EP-0380019-A2 Methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-08-01 EP disclosed
US-4939264-A Immunoassay for opiate alkaloids and their metabolites; tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1990-07-03 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3933785-A Azo compounds CIBA-GEIGY AG (CH) 1976-01-20 US disclosed