SCHEMBL6232804

SCHEMBL6232804

NN(C=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 4/20 0.44
PYCR1 P32322 1/20 0.44
KMT2A Q03164 2/20 0.42
KIF11 P52732 1/20 0.42
LSS P48449 1/20 0.41
MAOB P27338 4/20 0.41
MTOR P42345 1/20 0.37
MEN1 O00255 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL1669089 0.79 LOXL2 (0.43) TAAR1IDO1PYCR1
SCHEMBL28342000 0.78 PYCR1 (0.51) TAAR1IDO1PYCR1KMT2AKIF11
SCHEMBL29000842 0.77 SLC6A4 (0.43) LSSMAOB
SCHEMBL28888850 0.75 TAAR1 (0.50) TAAR1IDO1PYCR1KMT2AKIF11
SCHEMBL15110621 0.74 LSS (0.48) TAAR1IDO1PYCR1KMT2AKIF11
SCHEMBL9636139 0.73 PYCR1 (0.53) TAAR1IDO1PYCR1KMT2AKIF11
SCHEMBL29026422 0.73 MTOR (0.43) TAAR1PYCR1KMT2ALSSMAOB
SCHEMBL8497602 0.72 ALDH1A1 (0.48) TAAR1IDO1PYCR1KMT2AKIF11
SCHEMBL6231688 0.72 LOXL2 (0.50) IDO1KMT2AMEN1
SCHEMBL624798 0.71 TAAR1 (0.50) TAAR1IDO1KMT2AKIF11MAOB

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-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
EP-0790996-B1 PYRIDAZINOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed