SCHEMBL28296745

SCHEMBL28296745

COC(=O)Oc1ccccc1.N=C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27496383 0.90 HPGD (0.57) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL29250 0.90 HPGD (0.57) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL6537222 0.88 HPGD (0.55) KDM4EHPGDHSD17B10ALDH1A1MAPT
Bicarbonate SCHEMBL3691134 0.88 HPGD (0.55) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8231634 0.88 HPGD (0.55) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28613359 0.84 HSD17B10 (0.52) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL27733071 0.84 ALDH1A1 (0.52) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL545687 0.82 HPGD (0.58) KDM4EHPGDHSD17B10SMN1; SMN2TSHR
SCHEMBL22009665 0.80 ALDH1A1 (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL3691133 0.79 ALDH1A1 (0.52) KDM4EHPGDHSD17B10ALDH1A1MAPT

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
CN-109803992-A The manufacturing method of isocyanate composition and isocyanate polymer 旭化成株式会社 2019-05-24 CN disclosed