SCHEMBL11297458

SCHEMBL11297458

Cc1cc(Br)ccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N)c(N)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR4A1 P22736 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
HTR6 P50406 1/20 0.40
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PTPN1 P18031 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 1/20 0.34
EPAS1 Q99814 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL11292165 0.90 HTT (0.49) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11300313 0.89 MMP2 (0.38) HTTL3MBTL1TDP1NR4A1SMN1; SMN2
SCHEMBL9859653 0.88 HTT (0.46) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11299035 0.85 NR4A1 (0.55) HTTL3MBTL1TDP1NR4A1SMN1; SMN2
SCHEMBL11301461 0.83 HTT (0.49) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11299921 0.82 PKM (0.50) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11297725 0.81 HTT (0.48) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL11293815 0.81 PTGDR2 (0.41) HTTL3MBTL1TDP1NR4A1SMN1; SMN2
SCHEMBL11296514 0.81 HTT (0.47) HTTL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL10728280 0.81 NR4A1 (0.65) HTTL3MBTL1TDP1NR4A1SMN1; SMN2

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