SCHEMBL21187389

SCHEMBL21187389

Fc1cc(Br)c2c(c1)NCCCCCC2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL26431777 0.85 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL30288080 0.76 UHRF1 (0.35) KDM4EMEN1ALDH1A1TP53GAA
SCHEMBL24011589 0.76 UHRF1 (0.35) KDM4EMEN1ALDH1A1TP53GAA
SCHEMBL31011770 0.72 CHRNB4 (0.33)
SCHEMBL31011768 0.72 CHRNB4 (0.33)
SCHEMBL1686017 0.71 UHRF1 (0.40) KDM4EMEN1ALDH1A1TP53GAA
SCHEMBL21187390 0.70 MAPT (0.35) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL31127815 0.70 CHRNB4 (0.33)
SCHEMBL23647865 0.70 CCNB2 (0.31) MAPT
SCHEMBL15523824 0.69 PARP10 (0.43) KDM4EMEN1KMT2AHSD17B10

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed