SCHEMBL4459404

SCHEMBL4459404

Cc1ncc2c(c1O)COC(C(C)C)OC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
P2RX3 P56373 1/20 0.51
MAPT P10636 1/20 0.31

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 0.79 KDM4E (0.61) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL4465746 0.77 MAPT (0.48) KMT2AKDM4EMEN1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11161014 0.77 KDM4E (0.59) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL4466115 0.76 KDM4E (0.58) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL9751410 0.74 KDM4E (0.39) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL13107698 0.68 KDM4E (0.42) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL10732292 0.68 KDM4E (0.42) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL26654935 0.68 KDM4E (0.42) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL23027113 0.68 KDM4E (0.37) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL4442904 0.67 KDM4E (0.41) KMT2AKDM4EMEN1CYP1A2CYP2D6

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 7 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
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed
EP-1685133-A1 MANUFACTURE OF VITAMIN B6 DSM IP Assets B.V. (NL) 2006-08-02 EP disclosed
EP-1578752-A1 METHOD FOR PRODUCING PYRIDOXINE OR AN ACID ADDITION SALT THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2005049618-A1 MANUFACTURE OF VITAMIN B6 DSM IP ASSETS B.V. (NL) 2005-06-02 WO disclosed
WO-2004058774-A1 METHOD FOR PRODUCING PYRIDOXINE OR AN ACID ADDITION SALT THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed