SCHEMBL22952908

SCHEMBL22952908

COc1cc2nc(-c3ccc(-c4nc5cc(OC)c(OC)cc5c(=O)o4)cc3)oc(=O)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.67
KLK14 Q9P0G3 8/20 0.67
KLK5 Q9Y337 8/20 0.67
CTSG P08311 6/20 0.67
ALDH1A1 P00352 4/20 0.67
HSD17B10 Q99714 2/20 0.67
HPGD P15428 2/20 0.67
CTRC Q99895 2/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.67
PTK2B Q14289 1/20 0.67
MEN1 O00255 1/20 0.67
MAPK1 P28482 1/20 0.65
KDM4E B2RXH2 5/20 0.64
NPC1 O15118 2/20 0.64
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.57
ELANE P08246 2/20 0.56

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
SCHEMBL915062 0.94 KMT2A (0.64) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL17554019 0.94 KLK7 (0.72) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL914160 0.93 KLK7 (0.60) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL8499615 0.93 KMT2A (0.70) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL914043 0.91 HSD17B10 (0.63) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL914308 0.89 KMT2A (0.65) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL914010 0.88 KDM4E (0.58) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL915918 0.86 NPC1 (0.56) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL17297264 0.85 ALDH1A1 (0.59) KLK7KLK14KLK5CTSGALDH1A1
SCHEMBL17554063 0.84 F2 (0.62) KLK7KLK14KLK5CTSGALDH1A1

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
US-20210033886-A1 LENS FOR SPECTACLES AND SPECTACLES FUJIFILM CORPORATION (JP) 2021-02-04 US disclosed