SCHEMBL8485482

SCHEMBL8485482

CN(C)CCn1nc2c3c(c([N+](=O)[O-])ccc31)Sc1cccnc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
GSK3B P49841 1/20 0.31
EGFR P00533 2/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL8487670 0.90 TOP2A (0.41) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8487902 0.87 MAPT (0.35) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8486373 0.86 KMT2A (0.33) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10927511 0.86 NQO1 (0.46) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8483875 0.83 KDM1A (0.34) SMN1; SMN2TOP2ATOP2BGSK3BKDM4E
SCHEMBL8486344 0.82 TOP2A (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL8483753 0.81 NQO1 (0.44) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10812237 0.80 NQO1 (0.53) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8482943 0.77 TOP2A (0.42) NQO1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8482764 0.76 TOP2A (0.34) SMN1; SMN2TOP2ATOP2BKDM4E

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