SCHEMBL4558725

SCHEMBL4558725

C=CCc1nc(C)c(O)c(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PDXK O00764 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
SCHEMBL10373554 0.77 NPSR1 (0.33) NPSR1
SCHEMBL20508951 0.73 NPSR1 (0.36) NPSR1
SCHEMBL2282478 0.68 NQO2 (0.33)
SCHEMBL3856071 0.66 NPSR1 (0.30) NPSR1
SCHEMBL25838357 0.65
SCHEMBL11208926 0.65 DHFR (0.36)
Hydrochloric Acid SCHEMBL11016673 0.65 PDXK (0.38) PDXK
SCHEMBL17867154 0.64 KMT2A (0.41) GABRA1GABRB2NPSR1
SCHEMBL9621343 0.64 XDH (0.31) GABRA1GABRB2NPSR1
SCHEMBL10373721 0.62 PDE4B (0.32)

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