SCHEMBL6235763

SCHEMBL6235763

CC(C)(C)NN(Cc1cccs1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
HSD11B1 P28845 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3323146 0.77 AKT1 (0.50) RIPK1MAPTLMNAHTTNPSR1
SCHEMBL7685603 0.76 TRPM8 (0.58) RIPK1POLBTDP1TSHRHTT
SCHEMBL17009323 0.74 TSHR (0.56) RIPK1POLBTDP1MAPTTSHR
SCHEMBL4080378 0.73 POLB (0.69) RIPK1POLBTDP1MAPTTSHR
SCHEMBL8079386 0.73 RIPK1 (0.50) RIPK1POLBMAPTTSHRLMNA
SCHEMBL1027537 0.71 TRPM8 (0.49) RIPK1POLBTDP1HTTSMN1; SMN2
SCHEMBL4485884 0.70 RIPK1 (0.50) RIPK1POLBTDP1LMNAALDH1A1
SCHEMBL3323893 0.70 RIPK1 (0.75) RIPK1POLBTDP1NPSR1ALDH1A1
SCHEMBL8064136 0.70 ALOX5 (0.46) TSHRALDH1A1TRPM8
SCHEMBL15238873 0.70 POLB (0.58) RIPK1POLBTDP1TSHRALDH1A1

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 12 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
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
US-6103721-A TREATMENT OF STROKE ANOXIA; ANTIHYPERGLYCEMIC,-ISCHEMIC AND -EPILEPTIC AGENTS ZENECA LIMITED (GB) 2000-08-15 US disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US 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