SCHEMBL6519103

SCHEMBL6519103

O=C(O)CCN(Cc1cccc(Br)c1)Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
PTGES O14684 1/20 0.48
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
ATM Q13315 1/20 0.43
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MEP1B Q16820 3/20 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
SCHEMBL6511657 0.90 HDAC3 (0.50) KMT2AMEN1HTTHDAC3HDAC1
SCHEMBL6514104 0.87 KMT2A (0.42) KMT2AMEN1HTTPTGESFFAR1
SCHEMBL6511947 0.85 MTNR1A (0.47) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL6512357 0.84 TAS2R14 (0.43) KMT2AMEN1HTTPTGESFFAR4
SCHEMBL6510153 0.84 PKM (0.47) KMT2AMEN1HTTFFAR1HDAC3
SCHEMBL8987604 0.83 KMT2A (0.64) KMT2AMEN1HTTPTGESFFAR1
SCHEMBL6531193 0.82 LTA4H (0.46) FFAR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6511663 0.81 HTT (0.43) KMT2AMEN1HTTFFAR1HDAC3
SCHEMBL6515044 0.81 ALDH1A1 (0.41) KMT2AMEN1FFAR1HDAC3HDAC1
SCHEMBL6509679 0.81 SMN1; SMN2 (0.45) KMT2AMEN1HTTHDAC3HDAC1

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed