SCHEMBL6509679

SCHEMBL6509679

O=C(O)CCN(Cc1cccc(Cc2ccccc2)c1)Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
PTPN1 P18031 2/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACKR3 P25106 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RORC P51449 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL6511124 0.93 PTPN1 (0.41) SMN1; SMN2PTPN1ALDH1A1KDM4EHTT
SCHEMBL6510335 0.90 HTT (0.43) PTPN1HTTTDP1MEN1KMT2A
SCHEMBL6514104 0.88 KMT2A (0.42) PTPN1HTTTDP1MEN1KMT2A
SCHEMBL6511151 0.88 RAB9A (0.43) PTPN1ALDH1A1KDM4EHTTHDAC3
SCHEMBL6511657 0.87 HDAC3 (0.50) PTPN1ALDH1A1KDM4EHTTMEN1
SCHEMBL6510153 0.86 PKM (0.47) HTTMEN1KMT2AHDAC3HDAC1
SCHEMBL6511663 0.85 HTT (0.43) SMN1; SMN2PTPN1HTTMEN1KMT2A
SCHEMBL6515044 0.85 ALDH1A1 (0.41) PTPN1ALDH1A1MEN1KMT2ARORC
SCHEMBL6511947 0.82 MTNR1A (0.47) PTPN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6519103 0.81 KMT2A (0.50) HTTMEN1KMT2AHDAC3HDAC1

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