SCHEMBL10078191

SCHEMBL10078191

Cc1cc2c(cc1S(=O)(=O)NCc1ccco1)OCC(=O)N2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ TP53 P04637 5/20 0.72
▸ LMNA P02545 3/20 0.72
▸ THRB P10828 2/20 0.69
▸ GAA P10253 1/20 0.64
▸ PKM P14618 6/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL25010388 0.81 TP53 (0.71) MAPTTP53LMNATHRBGAA
SCHEMBL25010896 0.77 PKM (0.79) TP53LMNATHRBPKM
SCHEMBL25009227 0.76 PKM (0.83) TP53LMNATHRBPKM
SCHEMBL25009096 0.75 PKM (0.70) MAPTTP53LMNATHRBPKM
SCHEMBL25009095 0.74 PKM (0.80) TP53LMNATHRBPKM
SCHEMBL25010953 0.73 PKM (1.00) MAPTTP53LMNATHRBPKM
SCHEMBL18184511 0.73 TP53 (0.64) MAPTL3MBTL1TP53LMNATHRB
SCHEMBL25010014 0.73 PKM (1.00) TP53LMNAPKMMEN1KMT2A
SCHEMBL18184455 0.73 TP53 (0.67) MAPTTP53LMNATHRBGAA
SCHEMBL2588150 0.73 PKM (1.00) TP53LMNATHRBPKM

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-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 — — WO disclosed
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