SCHEMBL4053397

SCHEMBL4053397

O=C(O)Cc1c[nH]c2cccc(OCCCn3c4ccccc4c4ccccc43)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.50
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
DNMT1 P26358 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FABP4 P15090 3/20 0.48
FABP5 Q01469 3/20 0.48
ACHE P22303 1/20 0.47
FABP3 P05413 1/20 0.44
CDC7 O00311 1/20 0.41
EEF2K O00418 1/20 0.41

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
SCHEMBL4053587 0.79 PPARG (0.47) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7360256 0.76 HTR2A (0.62) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6770793 0.72 KDM4E (0.64) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4063165 0.72 GAA (0.48) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4064985 0.72 PPARA (0.51) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4061859 0.71 MCL1 (0.42) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL24043692 0.71 KMT2A (0.58) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4055592 0.71 PPARA (0.54) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4062336 0.71 MAPT (0.44) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5011220 0.70 PPARG (0.59) MCL1KDM4EFABP4FABP5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed