SCHEMBL7982001

SCHEMBL7982001

CC(C)(C)[Si](C)(C)OC1CC(CO)N(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ENPP2 Q13822 4/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
CTSB P07858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7968396 1.00 ALDH1A1 (0.36) ALDH1A1LMNAPOLBNPSR1SIRT2
SCHEMBL7968212 0.87 KMT2A (0.35) ALDH1A1LMNAPOLBSIRT2SIRT1
SCHEMBL7968216 0.87 KMT2A (0.35) ALDH1A1LMNAPOLBSIRT2SIRT1
SCHEMBL7968400 0.83 ALDH1A1 (0.37) ALDH1A1LMNAPOLBNPSR1SIRT2
SCHEMBL7968403 0.83 ALDH1A1 (0.37) ALDH1A1LMNAPOLBNPSR1SIRT2
SCHEMBL8134546 0.83 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHTTKMT2A
SCHEMBL8134544 0.83 ALDH1A1 (0.36) ALDH1A1LMNAPOLBHTTKMT2A
SCHEMBL7981677 0.82 CTSL (0.39) ALDH1A1LMNAPOLBNPSR1SIRT2
SCHEMBL28510747 0.80 NPSR1 (0.38) ALDH1A1LMNAPOLBNPSR1SIRT2
SCHEMBL28511023 0.78 SIRT2 (0.40) ALDH1A1LMNASIRT2SIRT1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed