SCHEMBL11295332

SCHEMBL11295332

Cc1cc(Br)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3cccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(Br)cc6C)cc5)cc4)c3C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
EPAS1 Q99814 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
PTPN1 P18031 1/20 0.40
PGR P06401 2/20 0.39
PKM P14618 2/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 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
SCHEMBL11302564 0.95 HTT (0.45) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL9859653 0.92 HTT (0.46) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11290154 0.91 HTT (0.47) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11299945 0.90 HTT (0.49) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11292165 0.87 HTT (0.49) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11294592 0.87 HTT (0.49) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11299921 0.85 PKM (0.50) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL11297727 0.84 HTT (0.53) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11301461 0.84 HTT (0.49) HTTTDP1L3MBTL1SMN1; SMN2EPAS1
SCHEMBL11296514 0.82 HTT (0.47) HTTTDP1L3MBTL1SMN1; SMN2EPAS1

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
US-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed