SCHEMBL5510249

SCHEMBL5510249

CCC(NC(=O)c1cnc2ccccc2c1NCCCCN)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TOP2A P11388 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5510251 0.80 TOP2A (0.48) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL5503230 0.78 HPGDS (0.41) MEN1PKMKMT2A
SCHEMBL5506586 0.77 KMT2A (0.76) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL5505918 0.74 KMT2A (0.77) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL5505490 0.73 KMT2A (0.65) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL9011271 0.70 CCKBR (0.49)
SCHEMBL5501700 0.70 TOP2A (0.46) MEN1PKMKMT2AMAPTTOP2A
SCHEMBL2052464 0.70 MEN1 (0.57) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL5501450 0.69 KMT2A (0.76) MEN1PKMKMT2AMAPTSMN1; SMN2
SCHEMBL2045638 0.69 KMT2A (0.79) MEN1PKMKMT2AMAPTSMN1; SMN2

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
EP-1753724-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
WO-2005123686-A1 HETEROCYCLIC DERIVATIVES FOR TREATMENT OF HYPERLIPIDEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed