SCHEMBL4782078

SCHEMBL4782078

COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1.Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
SMO Q99835 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL4732268 0.80 FASN (0.59) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL4735643 0.76 FASN (0.58) MAPK14MAPTLMNAALDH1A1
SCHEMBL4732879 0.75 SMN1; SMN2 (0.64) MAPK14SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6475916 0.74 MAPK14 (0.66) MAPK14SMOMAPTMEN1KMT2A
SCHEMBL31531892 0.73 TSHR (0.69) SMN1; SMN2MAPTKMT2ALMNAALDH1A1
SCHEMBL26990533 0.73 TSHR (0.69) SMN1; SMN2MAPTKMT2ALMNAALDH1A1
SCHEMBL4737601 0.73 FASN (0.59) MAPK14SMN1; SMN2MEN1KMT2AGAA
SCHEMBL2968436 0.72 MAPK14 (0.82) MAPK14SMOMAPTMEN1KMT2A
SCHEMBL6477445 0.72 MAPK14 (1.00) MAPK14SMOMAPTMEN1KMT2A
SCHEMBL6780689 0.72 MAPK14 (0.64) MAPK14SMOSMN1; SMN2MAPTMEN1

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed