SCHEMBL11162001

SCHEMBL11162001

CCOc1ccc(OCC2=NCCN2c2cc(C)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ KAT6A Q92794 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CD4 P01730 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10346035 0.66 CTDSP1 (0.45) POLBLMNACTDSP1NPC1KAT6A
SCHEMBL7034332 0.66 CTDSP1 (0.44) POLBLMNACTDSP1KAT6AMAPT
SCHEMBL6670342 0.66 CA12 (0.46) POLBLMNAMAPTKMT2AMEN1
SCHEMBL11161996 0.65 NISCH (0.50) LMNAMAPTKMT2AMEN1TSHR
SCHEMBL25045972 0.64 MEN1 (0.48) POLBCTDSP1NPC1MAPTKMT2A
SCHEMBL7025423 0.64 CTDSP1 (0.45) LMNACTDSP1KAT6AMAPTKMT2A
SCHEMBL1606269 0.63 CTDSP1 (0.59) LMNACTDSP1NPC1MAPTKMT2A
SCHEMBL755720 0.62 CA12 (0.66) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3666633 0.62 MYC (0.34) POLBMAPTKMT2AMEN1RECQL
SCHEMBL8217660 0.61 MAPT (0.45) LMNANPC1MAPTKMT2AMEN1

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-4414223-A MITICIDWS BURROUGHS WELLCOME CO. (US) 1983-11-08 — — US disclosed
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