SCHEMBL1079201

SCHEMBL1079201

COC(=O)c1nn(Cl)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.62
PLAU P00749 5/20 0.62
F2 P00734 4/20 0.62
KDM4E B2RXH2 3/20 0.46
NR4A2 P43354 3/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1563104 0.82 KDM4E (0.66) ELANEPLAUF2KDM4ENR4A2
SCHEMBL31302274 0.82 KDM4E (0.66) ELANEPLAUF2KDM4ENR4A2
SCHEMBL4476722 0.81 ELANE (0.72) ELANEPLAUF2
SCHEMBL8111559 0.81 ELANE (0.62) ELANEPLAUF2KDM4ENR4A2
SCHEMBL1078543 0.81 ELANE (0.62) ELANEPLAUF2KDM4ENR4A2
SCHEMBL3452457 0.80 ELANE (0.70) ELANEPLAUF2
SCHEMBL28171820 0.80 ELANE (0.61) ELANEKDM4EHIF1AMEN1KMT2A
SCHEMBL4258294 0.80 TSHR (0.52) ELANEPLAUF2KDM4EHIF1A
SCHEMBL2432444 0.79 ELANE (0.74) ELANEPLAUF2
SCHEMBL717998 0.78 ELANE (0.63) ELANEPLAUF2KDM4ENR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO disclosed