SCHEMBL8595993

SCHEMBL8595993

NC(=O)c1ccnc(CO)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PARP1 P09874 1/20 0.36
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KMT2A Q03164 1/20 0.33
SYK P43405 2/20 0.33
PIK3CB P42338 1/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
BCAT2 O15382 1/20 0.32

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
SCHEMBL241097 0.79 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL8597943 0.76 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL497429 0.76 PARP1 (0.53) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL5316536 0.75 BCAT2 (0.41) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL28805611 0.73 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL8945357 0.71 KDM4E (0.38) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL10923208 0.71 BCAT2 (0.48) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL9736677 0.69 ALDH1A1 (0.40) KDM4EL3MBTL1ALDH1A1PDE3BPDE3A
SCHEMBL4673795 0.69 GABRP (0.41) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL4673785 0.69 NOS2 (0.55) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed