SCHEMBL4048620

SCHEMBL4048620

CCOC(=O)c1nn(CCCCC#N)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.55
F2 P00734 1/20 0.53
PLAU P00749 1/20 0.53
CNR1 P21554 3/20 0.47
CNR2 P34972 2/20 0.45

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
SCHEMBL4049633 0.85 ELANE (0.50) ELANEF2PLAUCNR1CNR2
SCHEMBL13690858 0.83 TSHR (0.47) CNR1CNR2
SCHEMBL17321351 0.83 ELANE (0.66) ELANEF2PLAU
SCHEMBL15882396 0.82 ELANE (0.58) ELANEF2PLAUCNR1CNR2
SCHEMBL6113989 0.82 PARP1 (0.56) ELANECNR1CNR2
SCHEMBL26258125 0.81 ELANE (0.56) ELANEF2PLAUCNR1CNR2
SCHEMBL15897943 0.81 ELANE (0.57) ELANEF2PLAUCNR1CNR2
SCHEMBL15882325 0.80 ELANE (0.61) ELANEF2PLAU
SCHEMBL4052496 0.79 TSHR (0.51) CNR1CNR2
SCHEMBL8400360 0.78 PARP1 (0.57) ELANECNR1CNR2

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed