SCHEMBL8847987

SCHEMBL8847987

NCCCn1nc2c3c(c(Cl)ccc31)C(=O)c1cnccc1-2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.45
TDP1 Q9NUW8 4/20 0.38
CDC25B P30305 1/20 0.36
CAMK2D Q13557 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
CSNK1G2 P78368 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32

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
SCHEMBL8848089 0.93 TOP2A (0.46) TOP2ATDP1CDC25BCSNK1A1CSNK1D
SCHEMBL8847912 0.87 TOP2A (0.46) TOP2ACDC25B
SCHEMBL7812061 0.86 TOP2A (0.45) TOP2ATDP1
SCHEMBL7817561 0.84 TOP2A (0.41) TOP2ACDC25B
SCHEMBL7804662 0.84 TOP2A (0.48) TOP2ATDP1CDC25B
SCHEMBL7814010 0.82 TOP2A (0.45) TOP2ACDC25B
SCHEMBL7827886 0.82 TOP2A (0.36) TOP2ACDC25B
SCHEMBL7804837 0.81 TOP2A (0.50) TOP2ACDC25B
SCHEMBL7812072 0.80 MAPK13 (0.44) TOP2ACDC25B
SCHEMBL10801104 0.79 TOP2A (0.54) TOP2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5604246-A HAVING POTENCY AGAINST MULTIDRUG RESISTANT TUMORS BOEHRINGER MANNHEIM ITALIA SPA (IT) 1997-02-18 US disclosed
US-5519029-A ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1996-05-21 US disclosed