SCHEMBL328570

SCHEMBL328570

O=C(I)OCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
MAPK1 P28482 2/20 0.44
BCHE P06276 2/20 0.44
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL14959640 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL165769 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23051074 0.82 SLC29A1 (0.37) KMT2AMEN1ALDH1A1HPGDHRH3
SCHEMBL26784221 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL165770 0.81 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL167209 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL23870859 0.80 KMT2A (0.49) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL15160661 0.80 ATM (0.54) KMT2AMEN1ALDH1A1L3MBTL1BCHE
SCHEMBL10386591 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL5111511 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBMAPT

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
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed