SCHEMBL27658286

SCHEMBL27658286

CCCC(=O)OCc1ccc(NC(=O)c2cnc3ccccc3c2NCCCCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
TOP2A P11388 4/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MERTK Q12866 1/20 0.39
OPRM1 P35372 4/20 0.38
OPRK1 P41145 4/20 0.38
OPRL1 P41146 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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
SCHEMBL27678380 0.87 MERTK (0.44) MEN1PKMKMT2ATOP2AMAPT
SCHEMBL5510251 0.83 TOP2A (0.48) MEN1PKMKMT2ATOP2AMAPT
SCHEMBL5510249 0.78 MEN1 (0.46) MEN1PKMKMT2ATOP2AMAPT
SCHEMBL17450237 0.77 MEN1 (0.49) MEN1PKMKMT2A
SCHEMBL5506586 0.76 KMT2A (0.76) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL5501524 0.76 KMT2A (0.74) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL5505918 0.73 KMT2A (0.77) MEN1PKMKMT2AMAPTNPSR1
SCHEMBL5501700 0.73 TOP2A (0.46) MEN1PKMKMT2ATOP2AMAPT
SCHEMBL530058 0.71 KMT2A (0.50) MEN1PKMKMT2AKDM4E
SCHEMBL2045638 0.70 KMT2A (0.79) MEN1PKMKMT2AMAPTNPSR1

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
CN-1968928-A Heterocyclic derivatives for treatment of hyperlipidemia and related diseases AVANIR PHARMACEUTICALS (US) 2007-05-23 CN disclosed