SCHEMBL6606987

SCHEMBL6606987

COc1cc(C2=NN(C(=O)c3ccc(NC(=O)c4c[nH]cn4)cc3)CCC2)ccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
CFTR P13569 6/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6600325 0.90 CFTR (0.49) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6602252 0.88 ALDH1A1 (0.47) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6603562 0.87 ALDH1A1 (0.42) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6607064 0.87 CFTR (0.45) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6603519 0.86 MEN1 (0.45) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6600023 0.86 ALDH1A1 (0.46) PGRALDH1A1GAAPOLBCFTR
SCHEMBL7783534 0.85 CFTR (0.44) PGRALDH1A1GAAPOLBCFTR
SCHEMBL6605929 0.85 ALDH1A1 (0.48) PGRALDH1A1GAAPOLBLMNA
SCHEMBL6602474 0.85 ALDH1A1 (0.48) PGRALDH1A1GAAPOLBLMNA
SCHEMBL6601093 0.85 ALDH1A1 (0.45) PGRALDH1A1GAAPOLBCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed
EP-1143944-A3 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-09-11 EP disclosed
EP-1143944-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000059484-A2 USE OF ARYLALKANOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2000-10-12 WO disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed