SCHEMBL8487670

SCHEMBL8487670

CCN(CC)CCn1nc2c3c(c([N+](=O)[O-])ccc31)Sc1cccnc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
NQO1 P15559 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 4/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8485482 0.90 NQO1 (0.41) TOP2ATOP2BALDH1A1MAPTL3MBTL1
SCHEMBL8482943 0.87 TOP2A (0.42) TOP2ATOP2BALDH1A1MAPTL3MBTL1
SCHEMBL10810013 0.86 TOP2A (0.48) TOP2ATOP2BALDH1A1MAPTL3MBTL1
SCHEMBL8487902 0.85 MAPT (0.35) ALDH1A1MAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL8486373 0.84 KMT2A (0.33) ALDH1A1MAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL8485606 0.84 TOP2A (0.42) TOP2ATOP2BALDH1A1MAPTL3MBTL1
SCHEMBL8487417 0.82 TOP2A (0.44) TOP2ATOP2BL3MBTL1SMN1; SMN2KMT2A
SCHEMBL10813550 0.81 TOP2A (0.42) TOP2ATOP2BALDH1A1MAPTL3MBTL1
SCHEMBL8486344 0.80 TOP2A (0.40) TOP2AALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10925940 0.79 TOP2A (0.65) TOP2ATOP2BMAPTL3MBTL1SMN1; SMN2

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