SCHEMBL7517620

SCHEMBL7517620

NCCCC[C@H](N)C(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2c(N=C=S)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
FTO Q9C0B1 8/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
PRMT1 Q99873 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL3484938 0.86 FTO (0.43) MEN1MAPTHTTKMT2AALDH1A1
Ethylenediamine SCHEMBL17865717 0.83 FTO (0.50) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL5411973 0.83 FTO (0.58) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL6739362 0.83 FTO (0.44) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL7695141 0.83 FTO (0.39) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL29472215 0.81 FTO (0.55) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL16544 0.81 FTO (0.55) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL10486825 0.80 FTO (0.54) MEN1MAPTHTTKMT2AALDH1A1
SCHEMBL9013831 0.80 FTO (0.54) MEN1MAPTHTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5440613 0.80 FTO (0.54) MEN1MAPTHTTKMT2AALDH1A1

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
US-20020081617-A1 Fluorescence and FRET based assays for biomolecules on beads NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-06-27 US disclosed
WO-2002039083-A2 FLUORESCENCE AND FRET BASED ASSAYS FOR BIOMOLECULES ON BEADS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2002-05-16 WO disclosed