SCHEMBL6232801

SCHEMBL6232801

O=C=NNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
LSS P48449 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MIF P14174 1/20 0.41
MTOR P42345 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PYCR1 P32322 1/20 0.39
IDO1 P14902 2/20 0.39
PPARA Q07869 1/20 0.39
MAPK14 Q16539 1/20 0.38
EPHX2 P34913 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL4200757 0.79 FFAR1 (0.47) FFAR1LSSALDH1A1MIFMTOR
SCHEMBL3310758 0.76 ALDH1A1 (0.46) FFAR1LSSALDH1A1MIFMTOR
SCHEMBL27698293 0.74 MEN1 (0.33)
SCHEMBL1436108 0.72 PTPN1 (0.54) FFAR1ALDH1A1MTORTAAR1IDO1
SCHEMBL1648872 0.72 MIF (0.49) ALDH1A1MIFTAAR1PYCR1IDO1
SCHEMBL7345712 0.71 FFAR1 (0.68) FFAR1ALDH1A1MTORPPARA
SCHEMBL25588013 0.70 ALDH1A1 (0.52) FFAR1LSSALDH1A1MTORHDAC3
SCHEMBL27982876 0.70 ALDH1A1 (0.52) FFAR1LSSALDH1A1MTORHDAC3
Hydrochloric Acid SCHEMBL7347655 0.70 IDO1 (0.52) FFAR1LSSALDH1A1MTORHDAC3
SCHEMBL29026424 0.69 FFAR1 (0.49) FFAR1LSSMTORHDAC3HDAC1

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