SCHEMBL13610012

SCHEMBL13610012

Cc1cccc(C(=O)c2cccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 1/20 0.53
S100B P04271 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
PARP1 P09874 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
HPSE Q9Y251 2/20 0.46

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
SCHEMBL8276142 0.95 MAPK1 (0.58) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL17946141 0.90 MAPK1 (0.64) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL13695473 0.88 HSD17B10 (0.54) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL13695468 0.87 HSD17B10 (0.53) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL14010051 0.87 HSD17B10 (0.53) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL18905643 0.86 ALDH1A1 (0.51) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL29311932 0.84 HSD17B10 (0.53) TDP1MAPK1S100BMEN1KMT2A
SCHEMBL7593002 0.84 CA9 (0.65) MEN1KMT2ACA9CA12CA1
SCHEMBL10098939 0.84 ALDH1A1 (0.59) TDP1S100BMEN1KMT2ACA9
SCHEMBL17991476 0.84 MAPK1 (0.55) TDP1MAPK1S100BMEN1KMT2A

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-7621979-B2 Carbon film laminate and method for production thereof, and VOC removing device NGK INSULATORS, LTD. (JP) 2009-11-24 US disclosed