SCHEMBL7699135

SCHEMBL7699135

O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCNCC1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.81
ALDH1A1 P00352 5/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MAPK1 P28482 1/20 0.69
NPSR1 Q6W5P4 2/20 0.67
HPGD P15428 1/20 0.67
TDP1 Q9NUW8 2/20 0.59
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
TP53 P04637 4/20 0.59
LMNA P02545 1/20 0.56

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
Piperazine SCHEMBL7694429 0.99 MAPT (0.80) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3760191 0.90 MAPT (1.00) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6827361 0.80 HTR6 (0.61) MAPTALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6829461 0.79 HTR6 (0.60) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7663455 0.79 ALDH1A1 (1.00) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3766151 0.78 TP53 (0.91) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7669974 0.76 ALDH1A1 (0.84) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7669890 0.74 ALDH1A1 (1.00) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7665352 0.72 ALDH1A1 (0.84) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3756887 0.72 TP53 (1.00) MAPTALDH1A1MEN1KMT2AMAPK1

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-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO disclosed