SCHEMBL8487998

SCHEMBL8487998

Nc1ccc2c3c(nn2CCNCCO)-c2cnccc2Sc13

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.43
TOP2B Q02880 2/20 0.33
TERT O14746 1/20 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
SCHEMBL8486920 0.92 TOP2A (0.43) TOP2ATOP2B
SCHEMBL8486653 0.86 TOP2A (0.34) TOP2ATOP2B
SCHEMBL10812073 0.86 TOP2A (0.49) TOP2ATOP2BTERT
SCHEMBL8485627 0.84 TOP2A (0.41) TOP2ATOP2BTERT
SCHEMBL8486296 0.84 TOP2A (0.43) TOP2ATOP2B
SCHEMBL8483491 0.83 TOP2A (0.32) TOP2ATOP2B
SCHEMBL8485663 0.80 TOP2A (0.46) TOP2A
SCHEMBL8487270 0.80 TOP2A (0.41) TOP2A
SCHEMBL8483006 0.80 TOP2A (0.37) TOP2ATOP2B
SCHEMBL8486664 0.78 TOP2A (0.48) 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