SCHEMBL4256129

SCHEMBL4256129

CCCCCCCCCCCCN(CCCN)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.44
DRD2 P14416 3/20 0.44
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CA14 Q9ULX7 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
ACHE P22303 5/20 0.39

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
SCHEMBL17914130 0.93 TDP1 (0.52) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL24849943 0.93 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15432859 0.92 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL25956633 0.92 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8891384 0.92 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL12808793 0.92 TDP1 (0.59) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7414603 0.92 TDP1 (0.58) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15613415 0.92 TDP1 (0.58) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8891833 0.90 TDP1 (0.62) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13399506 0.90 TDP1 (0.58) TDP1MAOAMAOBMEN1KMT2A

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
EP-2105450-A1 Antimicrobial polymers Catalyse SARL (FR) 2009-09-30 EP disclosed