SCHEMBL8008403

SCHEMBL8008403

Cc1c2oc(=O)cc(C)c2c(C)c2c(CNCCCCCN)coc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.38
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
TOP2A P11388 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9443604 0.99 KDM1A (0.37) KDM1AKDM4EALDH1A1HSD17B10POLB
SCHEMBL8013923 0.95 MAOB (0.35) KDM1AKDM4EALDH1A1HSD17B10POLB
SCHEMBL8010863 0.94 KDM1A (0.35) KDM1AKDM4EALDH1A1HSD17B10POLB
SCHEMBL8011917 0.93 KDM4E (0.37) KDM1AKDM4EALDH1A1HSD17B10POLB
SCHEMBL8010703 0.84 KDM4E (0.38) KDM1AKDM4EALDH1A1HSD17B10POLB
SCHEMBL7869275 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL3939905 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBTSHR
Hydrochloric Acid SCHEMBL1002717 0.79 KDM4E (0.42) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8011521 0.78 KDM4E (0.40) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8014647 0.78 KDM4E (0.36) KDM4EALDH1A1HSD17B10POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044066-A1 BATCH DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS CONTAINING CELLS AND METHODS OF USE Cerus Corporation (US) 2000-10-18 EP disclosed
WO-1999034914-A1 BATCH DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS CONTAINING CELLS AND METHODS OF USE CERUS CORPORATION (US) 1999-07-15 WO disclosed