SCHEMBL22925045

SCHEMBL22925045

CC/N=C/c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
CA12 O43570 5/20 0.39
CA2 P00918 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 9/20 0.39
HSD11B1 P28845 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA9 Q16790 4/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL6090480 0.81 CA12 (0.49) KMT2AATMSMN1; SMN2CA12CA2
SCHEMBL2387841 0.81 CA12 (0.49) KMT2AATMSMN1; SMN2CA12CA2
SCHEMBL19228736 0.77 ALDH1A1 (0.46) KMT2ASMN1; SMN2CA12CA2KDM4E
SCHEMBL10309895 0.77 ALDH1A1 (0.46) KMT2ASMN1; SMN2CA12CA2KDM4E
SCHEMBL31146148 0.76 KMT2A (0.40) KMT2AATMSMN1; SMN2CA12CA2
SCHEMBL11977409 0.76 MAPT (0.59) KMT2AATMSMN1; SMN2CA12CA2
SCHEMBL13133376 0.76 KMT2A (0.40) KMT2AATMSMN1; SMN2CA12CA2
SCHEMBL347780 0.75 CA12 (0.70) KMT2ASMN1; SMN2CA12CA2KDM4E
SCHEMBL18073251 0.75 LMNA (0.54) KMT2ASMN1; SMN2CA12CA2KDM4E
SCHEMBL15786312 0.75 CA12 (0.70) KMT2ASMN1; SMN2CA12CA2KDM4E

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-2021012264-A1 TRIAZOLE SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-01-28 WO disclosed