SCHEMBL6237090

SCHEMBL6237090

CC1(c2ccccc2)OC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
CYP1A2 P05177 2/20 0.46
HCAR2 Q8TDS4 2/20 0.46
HCAR3 P49019 1/20 0.46
PTGER3 P43115 4/20 0.46
ALDH1A1 P00352 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 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
SCHEMBL4949257 0.82 HCAR2 (0.52) HCAR2HCAR3PTGER3MAPTCYP2C9
SCHEMBL4942184 0.82 HCAR2 (0.52) HCAR2HCAR3PTGER3MAPTCYP2C9
SCHEMBL3547985 0.79 PTGER3 (0.46) CYP1A2HCAR2HCAR3PTGER3ALDH1A1
SCHEMBL11252718 0.78 PTGER3 (0.46) PTGER3MAPTCYP2C9MEN1KMT2A
SCHEMBL28548234 0.76 HCAR2 (0.53) MMP2MMP9CYP1A2HCAR2HCAR3
SCHEMBL3554551 0.76 HTR1A (0.52) MMP2CYP2C9HTR2APPARG
SCHEMBL14261711 0.76 PPARG (0.43) HCAR2HCAR3PTGER3CYP2C9PPARG
SCHEMBL27702625 0.76 PPARG (0.43) HCAR2HCAR3PTGER3ALDH1A1CYP2C9
SCHEMBL27702623 0.76 PPARG (0.43) HCAR2HCAR3PTGER3ALDH1A1CYP2C9
SCHEMBL11263455 0.75 PTGER3 (0.50) MMP2MMP9CYP1A2PTGER3ALDH1A1

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 7 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
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
CN-1053189-C pyridazino quinoline compounds ZENECA LTD (GB) 2000-06-07 CN disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
CN-1138332-A Pyridazinoquinoline compounds ZENECA LTD (GB) 1996-12-18 CN disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 WO disclosed