SCHEMBL5847041

SCHEMBL5847041

c1ccc(-c2nc(-c3cccc4ccccc34)oc2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
GPR55 Q9Y2T6 1/20 0.64
ALDH1A1 P00352 8/20 0.56
MAPT P10636 5/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ATM Q13315 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CASP1 P29466 1/20 0.56
CYP2C19 P33261 1/20 0.56
CASP7 P55210 1/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL3792161 0.84 KDM4E (0.48) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL29083874 0.83 ALDH1A1 (0.53) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL29421028 0.82 KDM4E (0.46) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL29580516 0.82 ALDH1A1 (0.49) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL9007064 0.79 FABP4 (0.52) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL7102799 0.79 USP1 (0.54) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL19471297 0.79 KDM4E (0.49) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL13789731 0.79 CASP3 (0.53) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL8064764 0.79 RAB9A (0.53) KDM4ERAB9ANPC1L3MBTL1GPR55
SCHEMBL762311 0.79 NR4A2 (0.62) KDM4ERAB9ANPC1L3MBTL1GPR55

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-7151623-B2 Holographic data-storage medium TESA SCRIBOS GMBH (DE) 2006-12-19 US disclosed