SCHEMBL7656174

SCHEMBL7656174

COC(=O)c1nc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
HPGD P15428 4/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.43

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
SCHEMBL7660819 0.88 KDM4E (0.53) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL7658336 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL8072656 0.83 KDM4E (0.41) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL7655361 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDATMMAPT
SCHEMBL8250528 0.78 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7651195 0.78 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL8250523 0.77 HSD17B10 (0.50) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7662862 0.76 ALOX5 (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL7655721 0.75 ALOX5 (0.49) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2954102 0.75 KMT2A (0.48) ALDH1A1KDM4EHPGDATMMAPT

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed