SCHEMBL4466115

SCHEMBL4466115

Cc1ncc2c(c1O)COCOC2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
P2RX3 P56373 1/20 0.58
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.34
PDXK O00764 1/20 0.33
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAPT P10636 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
SCHEMBL447510 0.93 KDM4E (0.61) KDM4EKMT2AMEN1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11161014 0.91 KDM4E (0.59) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4459404 0.76 KMT2A (0.51) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL22019794 0.68 KDM4E (0.36) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL10376243 0.67 KDM4E (0.36) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL13107698 0.67 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL10732292 0.67 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL26654935 0.67 KDM4E (0.42) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL10821596 0.67 PDXK (0.38) KDM4EKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4442904 0.66 KDM4E (0.41) KDM4EKMT2AMEN1CYP1A2CYP2D6

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
US-7495101-B2 Manufacture of vitamin B6 DSM IP ASSETS B.V. (NL) 2009-02-24 US disclosed
US-20070072254-A1 Manufacture of vitamin b6 DSM IP ASSETS B.V. (NL) 2007-03-29 US disclosed
EP-1685133-A1 MANUFACTURE OF VITAMIN B6 DSM IP Assets B.V. (NL) 2006-08-02 EP disclosed
WO-2005049618-A1 MANUFACTURE OF VITAMIN B6 DSM IP ASSETS B.V. (NL) 2005-06-02 WO disclosed