SCHEMBL4190607

SCHEMBL4190607

O=c1oc(-c2cccc3ccccc23)nc2cccc(Cl)c12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.79
▸ C1R P00736 8/20 0.71
▸ PBRM1 Q86U86 1/20 0.55
▸ KMT2A Q03164 2/20 0.49
▸ PRSS1 P07477 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ PLG P00747 1/20 0.49
▸ KLK1 P06870 1/20 0.49
▸ C1S P09871 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CTSG P08311 1/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ KLK14 Q9P0G3 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47

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
SCHEMBL9984780 0.88 ELANE (1.00) ELANEC1RPBRM1KMT2APRSS1
SCHEMBL4192197 0.83 C1R (0.71) ELANEC1R
SCHEMBL29849973 0.83 ELANE (1.00) ELANEC1RPBRM1KMT2AF2
SCHEMBL9984776 0.83 ELANE (1.00) ELANEC1RPBRM1KMT2AF2
SCHEMBL9984683 0.83 ELANE (1.00) ELANEC1RPBRM1KMT2AMEN1
SCHEMBL29574035 0.83 ELANE (1.00) ELANEC1RPBRM1KMT2APRSS1
SCHEMBL9985824 0.83 ELANE (1.00) ELANEC1RPBRM1KMT2APRSS1
SCHEMBL20176382 0.83 ELANE (0.73) ELANEC1RPBRM1KMT2APRSS1
SCHEMBL2816912 0.82 C1R (0.69) ELANEC1RKMT2APRSS1F2
SCHEMBL9986142 0.80 ELANE (1.00) ELANEC1RPBRM1PRSS1CTSG

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-1756044-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2007-02-28 — — EP disclosed
WO-2005115972-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2005-12-08 — — WO disclosed
Send feedback