SCHEMBL6561082

SCHEMBL6561082

COc1cc2c(cc1OC)C(=NO)CC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 10/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
ALOX12 P18054 2/20 0.38
TP53 P04637 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6561081 1.00 KDM4E (0.50) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL12651523 0.81 KDM4E (0.47) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL10610335 0.80 KDM4E (0.48) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL10610343 0.80 KDM4E (0.48) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6558711 0.80 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6558716 0.80 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6593237 0.79 ALDH1A1 (0.49) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6559504 0.79 KDM4E (0.61) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6559505 0.79 KDM4E (0.61) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL7830552 0.79 ALDH1A1 (0.49) KDM4EALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed