SCHEMBL26434400

SCHEMBL26434400

O=C(O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
MAPT P10636 2/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 3/20 0.63
THRB P10828 1/20 0.63
TSHR P16473 2/20 0.61
CYP2C19 P33261 1/20 0.59
NUDT15 Q9NV35 1/20 0.56
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL21313825 0.80 ALPL (0.62) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL27771176 0.80 ALPL (0.65) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL18315571 0.76 ATXN2 (0.68) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL118595 0.75 KMT2A (0.56) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL23246000 0.75 MAPT (0.61) KMT2AMEN1MAPTLMNATSHR
SCHEMBL31141476 0.75 MAPT (0.61) KMT2AMEN1MAPTLMNATSHR
SCHEMBL2989702 0.74 ALPL (0.62) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL18464328 0.73 ENPP2 (0.79) ALPLKMT2AMEN1MAPTLMNA
SCHEMBL1626449 0.73 KMT2A (0.65) ALPLKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL1627652 0.73 KMT2A (0.64) ALPLKMT2AMEN1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128889-A1 REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS Université Libre de Bruxelles (BE) 2023-04-27 US disclosed
US-20230128889-A1 REL/RELA/SPOT SMALL MOLECULES MODULATORS AND SCREENING METHODS Université Libre de Bruxelles (BE) 2023-04-27 US disclosed