SCHEMBL4635963

SCHEMBL4635963

[CH2][CH]Oc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPY5R Q15761 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPRT1 P00492 1/20 0.34
POLB P06746 1/20 0.34
TXNRD1 Q16881 1/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 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
SCHEMBL3538669 0.82 HTT (0.39) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3531473 0.81 HTT (0.38) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3532841 0.81 HTT (0.38) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3531827 0.80 ALDH1A1 (0.42) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3534757 0.80 ALDH1A1 (0.43) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL1814309 0.80 ALDH1A1 (0.43) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL4635823 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPY5RL3MBTL1
SCHEMBL3531630 0.77 CA12 (0.45) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3535790 0.76 CA12 (0.40) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL3531657 0.76 KMT2A (0.50) HTTALDH1A1KMT2AMEN1MAPT

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
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed