SCHEMBL6511124

SCHEMBL6511124

O=C(O)CCN(Cc1cccc(Cc2ccccc2)c1)Cc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RIPK1 Q13546 1/20 0.38
ACKR3 P25106 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEP1B Q16820 1/20 0.36

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
SCHEMBL6509679 0.93 SMN1; SMN2 (0.45) PTPN1HTTTDP1SMN1; SMN2HDAC3
SCHEMBL6510335 0.86 HTT (0.43) PTPN1HTTTDP1HDAC3HDAC1
SCHEMBL6511657 0.85 HDAC3 (0.50) PTPN1HTTHDAC3HDAC1HDAC2
SCHEMBL6514104 0.84 KMT2A (0.42) PTPN1HTTTDP1HDAC3HDAC1
SCHEMBL6511151 0.84 RAB9A (0.43) PTPN1HTTHDAC3HDAC1HDAC2
SCHEMBL6510153 0.84 PKM (0.47) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL6511663 0.83 HTT (0.43) PTPN1HTTSMN1; SMN2HDAC3HDAC1
SCHEMBL6515044 0.83 ALDH1A1 (0.41) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6511947 0.80 MTNR1A (0.47) PTPN1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6519103 0.79 KMT2A (0.50) HTTHDAC3HDAC1HDAC2HDAC8

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