SCHEMBL11260965

SCHEMBL11260965

COC(=O)c1cc(F)c(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.45
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDK2 Q15119 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
SCHEMBL11255135 0.94 NOTUM (0.44) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11256288 0.92 NOTUM (0.40) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11254979 0.84 LMNA (0.47) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11251598 0.83 CES1 (0.31)
SCHEMBL11251007 0.80 SOS1 (0.40) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11246023 0.79 PDK2 (0.39) ALDH1A1KDM4ELMNAL3MBTL1HTT
SCHEMBL11252856 0.79 MMP2 (0.55) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11240936 0.79 SOS1 (0.40) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11260601 0.78 SOS1 (0.41) NOTUMALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL11251656 0.78 NOTUM (0.54) NOTUMALDH1A1KDM4ELMNAL3MBTL1

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed