SCHEMBL5879933

SCHEMBL5879933

O=C(Cc1ccccc1Br)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
XBP1 P17861 1/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SIRT1 Q96EB6 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL5879939 1.00 KMT2A (0.47) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880100 0.91 KMT2A (0.52) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880103 0.91 KMT2A (0.52) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880121 0.90 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880126 0.90 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879774 0.89 LMNA (0.50) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879771 0.89 LMNA (0.50) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880082 0.88 LMNA (0.45) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880078 0.88 LMNA (0.45) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879907 0.88 LMNA (0.51) KMT2ALMNAMAPTMEN1HTT

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-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed