SCHEMBL8539802

SCHEMBL8539802

O=c1[nH]ncc2c1OCC[N]2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
PRKCI P41743 1/20 0.31
PDE4B Q07343 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 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
SCHEMBL7014615 0.71 SLC2A1 (0.32) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL8541187 0.71 SLC2A1 (0.32) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL9236847 0.57 SLC2A1 (0.32) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL16416075 0.54 SLC2A1 (0.36) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL1562626 0.54
SCHEMBL2119154 0.53 CYP11B1 (0.35)
SCHEMBL4564464 0.52 HSD17B10 (0.50) SLC2A1ALDH1A1PARP1PRKCIPDE4B
SCHEMBL6312891 0.51
SCHEMBL12118183 0.51
SCHEMBL7013361 0.51 ALDH1A1 (0.48) SLC2A1ALDH1A1PARP1PRKCIPDE4B

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
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed