SCHEMBL11434901

SCHEMBL11434901

O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1CCN1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ POLB P06746 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ RECQL P46063 2/20 0.69
▸ AHR P35869 1/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ RAD52 P43351 3/20 0.65
▸ KDM4E B2RXH2 5/20 0.64
▸ HTT P42858 3/20 0.64
▸ PABPC1 P11940 1/20 0.64
▸ S1PR1 P21453 1/20 0.64
▸ PAX8 Q06710 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.54
▸ GAA P10253 2/20 0.54
▸ TNF P01375 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54

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
SCHEMBL11433686 0.84 MAPT (0.73) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL6272682 0.82 MAPT (0.73) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL11442040 0.81 MAPT (0.73) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL11434599 0.81 MAPT (0.72) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL11441489 0.80 KMT2A (0.64) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL19529498 0.80 MAPT (0.70) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL11434790 0.79 RAD52 (1.00) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL7848586 0.78 ERCC1 (0.62) MAPTMEN1POLBKMT2AKDM4E
Pinafide SCHEMBL18697 0.78 MEN1 (1.00) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL11552380 0.77 MEN1 (0.98) MAPTMEN1POLBKMT2ARAB9A

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-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 — — US disclosed
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