SCHEMBL4635689

SCHEMBL4635689

O=C(O)NCCc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 6/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 5/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL4635694 1.00 POLB (0.51) POLBHTTKMT2AATMALDH1A1
SCHEMBL4691091 0.89 KMT2A (0.49) POLBHTTKMT2AATMALDH1A1
SCHEMBL8424307 0.84 HTT (0.56) POLBHTTKMT2AATMALDH1A1
SCHEMBL4690202 0.80 KMT2A (0.51) POLBHTTKMT2AATMALDH1A1
SCHEMBL4690208 0.80 KMT2A (0.51) POLBHTTKMT2AATMALDH1A1
SCHEMBL3534536 0.80 KMT2A (0.48) POLBHTTKMT2AATMALDH1A1
SCHEMBL27716526 0.79 HTT (0.58) POLBHTTKMT2AATMALDH1A1
SCHEMBL3568963 0.74 HDAC1 (0.41) POLBKMT2AALDH1A1GAARAB9A
SCHEMBL1694357 0.74 KMT2A (0.55) POLBKMT2AALDH1A1MEN1RAB9A
SCHEMBL4691085 0.74 KMT2A (0.49) POLBHTTKMT2AATMALDH1A1

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