SCHEMBL5257308

SCHEMBL5257308

O=c1oc(-c2cccc3ccccc23)nc2ccc(Cl)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 11/20 0.72
APEX1 P27695 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ELANE P08246 1/20 0.54
PRSS1 P07477 2/20 0.51
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
KLK1 P06870 1/20 0.51
C1S P09871 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 1/20 0.50
CTSG P08311 1/20 0.49
KLK7 P49862 1/20 0.49
KLK14 Q9P0G3 1/20 0.49
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL4194349 0.89 APEX1 (0.72) C1RAPEX1ALDH1A1KDM4EELANE
SCHEMBL2816912 0.84 C1R (0.69) C1RALDH1A1KDM4EELANEPRSS1
SCHEMBL4194659 0.84 C1R (0.72) C1RALDH1A1KDM4EELANEPRSS1
SCHEMBL914556 0.84 C1R (0.72) C1RAPEX1ALDH1A1KDM4EELANE
SCHEMBL5261384 0.84 C1R (0.58) C1RAPEX1ALDH1A1PRSS1F2
SCHEMBL2704120 0.81 C1R (0.68) C1RAPEX1ALDH1A1KDM4EELANE
SCHEMBL9475739 0.79 C1R (0.76) C1RALDH1A1KDM4EELANEPRSS1
SCHEMBL2328301 0.78 ALDH1A1 (0.63) C1RAPEX1ALDH1A1KDM4EELANE
SCHEMBL916032 0.78 C1R (0.74) C1RAPEX1ALDH1A1KDM4EELANE
SCHEMBL5921767 0.78 C1R (0.63) C1RAPEX1ALDH1A1KDM4EELANE

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