SCHEMBL22272003

SCHEMBL22272003

CCOc1cc2c(=O)oc(-c3ccccc3[S+](C)[O-])nc2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 10/20 0.76
KLK14 Q9P0G3 10/20 0.76
KLK5 Q9Y337 10/20 0.76
CTSG P08311 8/20 0.76
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CTRC Q99895 2/20 0.57
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PRSS1 P07477 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
ELANE P08246 3/20 0.47
C1R P00736 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PTK2B Q14289 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
SCHEMBL18353427 0.86 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18352964 0.83 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL30111990 0.82 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL16946276 0.82 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18352893 0.81 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL18353554 0.78 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL22272031 0.76 MEN1 (1.00) KLK7KLK14KLK5CTSGMEN1
SCHEMBL912875 0.75 KLK7 (0.85) KLK7KLK14KLK5CTSGMEN1
SCHEMBL4202365 0.75 MEN1 (0.75) KLK7KLK14KLK5CTSGMEN1
SCHEMBL913416 0.75 KLK7 (1.00) KLK7KLK14KLK5CTSGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3097085-B1 BENZOXAZINONE DERIVATIVES FOR TREATMENT OF SKIN DISEASES SIXERA PHARMA AB (SE) 2020-07-29 EP disclosed