SCHEMBL10466211

SCHEMBL10466211

COC(=O)c1c(Br)cnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.44
NR4A2 P43354 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL15414841 0.84 MEN1 (0.59) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL3159333 0.83 MEN1 (0.54) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL10465977 0.83 HTT (0.55) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL25248959 0.81 MEN1 (0.52) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL5778001 0.81 MEN1 (0.52) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL3152210 0.81 MEN1 (0.52) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL19876792 0.80 PDE10A (0.49) MEN1KMT2ATSHRKDM4EHPGD
SCHEMBL19890242 0.80 KMT2A (0.36) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL15414660 0.77 MEN1 (0.48) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL38662586 0.76 MEN1 (0.71) MEN1KMT2ATSHRKDM4EMAPT

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-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed