SCHEMBL8489284

SCHEMBL8489284

CNCCn1nc2c3c(c([N+](=O)[O-])ccc31)Sc1ccncc1-2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.35
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
FTO Q9C0B1 1/20 0.31
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
CCR6 P51684 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8487874 0.92 NQO1 (0.35) NQO1TOP2ATOP2BMAPTHTT
SCHEMBL8485627 0.88 TOP2A (0.41) NQO1TOP2ATOP2BMAPTHTT
SCHEMBL8483509 0.87 NQO1 (0.35) NQO1TOP2ATOP2BMAPTHTT
SCHEMBL8486653 0.83 TOP2A (0.34) TOP2ATOP2B
SCHEMBL8485535 0.82 NQO1 (0.36) NQO1TOP2AFTOMAPTHTT
SCHEMBL8486373 0.81 KMT2A (0.33) NQO1MAPTHTTKDM4EMEN1
SCHEMBL8483564 0.80 TOP2A (0.41) NQO1TOP2ATOP2B
SCHEMBL8489718 0.79 NQO1 (0.35) NQO1MAPTHTTPOLB
SCHEMBL8483753 0.78 NQO1 (0.44) NQO1TOP2ATOP2BMAPTHTT
SCHEMBL8487417 0.77 TOP2A (0.44) NQO1TOP2ATOP2BHTTPOLB

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-5935969-A Pyrido-thiopyrandoinazoles with antitumor activity UNIVERSITY OF VERMONT (US) 1999-08-10 US disclosed