SCHEMBL8483564

SCHEMBL8483564

O=[N+]([O-])c1ccc2c3c(nn2CCNCCO)-c2ccncc2Sc13

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
NQO1 P15559 1/20 0.32
TOP2B Q02880 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
SCHEMBL8485627 0.93 TOP2A (0.41) TOP2ANQO1TOP2B
SCHEMBL8487874 0.88 NQO1 (0.35) TOP2ANQO1TOP2B
SCHEMBL10815656 0.88 TOP2A (0.47) TOP2ANQO1TOP2B
SCHEMBL8489718 0.84 NQO1 (0.35) NQO1
SCHEMBL8486920 0.84 TOP2A (0.43) TOP2ATOP2B
SCHEMBL8486344 0.82 TOP2A (0.40) TOP2A
SCHEMBL8483753 0.82 NQO1 (0.44) TOP2ANQO1TOP2B
SCHEMBL8487417 0.80 TOP2A (0.44) TOP2ANQO1TOP2B
SCHEMBL8489284 0.80 NQO1 (0.35) TOP2ANQO1TOP2B
SCHEMBL8483443 0.79 TOP2A (0.43) TOP2ATOP2B

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