SCHEMBL6747123

SCHEMBL6747123

CCN(CC)CCn1nc2c3c(c(CNS(C)(=O)=O)ccc31)Sc1cccnc1-2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.68
TOP2B Q02880 4/20 0.68
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
DNMT1 P26358 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UHRF1 Q96T88 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7494012 0.87 TOP2A (0.78) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8485606 0.81 TOP2A (0.42) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL7496668 0.79 TOP2A (0.79) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8487670 0.78 TOP2A (0.41) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8485863 0.76 TOP2A (0.43) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL7493287 0.71 TOP2A (0.80) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8483875 0.70 KDM1A (0.34) TOP2ATOP2BSMN1; SMN2KDM4E
SCHEMBL11748467 0.70 TOP2A (0.57) TOP2ATOP2BPOLBNPC1MITF
SCHEMBL8485482 0.68 NQO1 (0.41) TOP2ATOP2BPOLBNPC1HTT
SCHEMBL8482764 0.67 TOP2A (0.34) TOP2ATOP2BSMN1; SMN2KDM4E

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-6747039-B2 INHIBITING CELL PROLIFERATION IN MAMMALS ALBANY MOLECULAR RESEARCH, INC. 2004-06-08 US disclosed