SCHEMBL14566596

SCHEMBL14566596

COC(=O)c1ccc2c(c1)CC/C2=N\OSBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL803513 0.81 HTT (0.51) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL14572029 0.77 MAPT (0.43) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL5621347 0.77 MAPT (0.43) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL5621344 0.77 MAPT (0.43) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL13548832 0.74 MAPK14 (0.56) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL31532073 0.73 SRD5A1 (0.51) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL883773 0.73 SRD5A1 (0.51) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1270477 0.73 L3MBTL1 (0.44) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL1270478 0.73 L3MBTL1 (0.44) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL10247479 0.73 L3MBTL1 (0.44) MAPTRAB9ANPC1ALDH1A1MEN1

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-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed