SCHEMBL7393259

SCHEMBL7393259

O=C(O)Cn1c(-c2ccc3c(c2)OCO3)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
HSD17B10 Q99714 3/20 0.64
ALDH1A1 P00352 6/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
TP53 P04637 1/20 0.49
DHODH Q02127 1/20 0.49
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
APEX1 P27695 1/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
EDNRB P24530 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
SCHEMBL7394509 0.90 CTSD (0.56) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7385375 0.87 SIRT2 (0.52) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7387135 0.84 SIRT2 (0.52) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7394378 0.83 ALDH1A1 (0.63) KDM4EALDH1A1TP53HPGDHTT
SCHEMBL14646191 0.82 HSD17B10 (0.94) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL7394081 0.81 TP53 (0.54) KDM4EHSD17B10ALDH1A1TP53HPGD
SCHEMBL7389782 0.81 KDM4E (0.61) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7394420 0.81 SIRT2 (0.55) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7394207 0.81 HPGD (0.49) KDM4EHSD17B10ALDH1A1SIRT2SIRT1
SCHEMBL7385813 0.80 PRKACA (0.55) KDM4EHSD17B10ALDH1A1TP53HPGD

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-6130333-A VISION DEFECTS; CARDIOVASCULAR DISORDERS MONSANTO COMPANY (US) 2000-10-10 US disclosed