SCHEMBL20683483

SCHEMBL20683483

BCCCCC(N)(C(=O)O)C1CCN(Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 6/20 0.56
ARG2 P78540 6/20 0.56
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
ATM Q13315 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCD O00767 1/20 0.45
PARP1 P09874 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL895081 0.89 ARG1 (0.73) ARG1ARG2KDM4EALDH1A1ATM
SCHEMBL30169886 0.89 ARG1 (0.73) ARG1ARG2KDM4EALDH1A1ATM
Hydrochloric Acid SCHEMBL895977 0.88 ARG1 (0.71) ARG1ARG2KDM4EALDH1A1ATM
SCHEMBL20683511 0.84 ARG1 (0.57) ARG1ARG2KDM4EALDH1A1
SCHEMBL10265155 0.83 ARG1 (0.77) ARG1ARG2KMT2AMEN1SIGMAR1
SCHEMBL19055967 0.83 ARG1 (0.77) ARG1ARG2KMT2AMEN1SIGMAR1
SCHEMBL16309661 0.83 ARG1 (0.77) ARG1ARG2KMT2AMEN1SIGMAR1
SCHEMBL20683410 0.82 ARG1 (0.54) ARG1ARG2KDM4EALDH1A1SIGMAR1
SCHEMBL20683466 0.80 ARG1 (0.52) ARG1ARG2KDM4EALDH1A1TDP1
SCHEMBL20683430 0.79 ARG1 (0.51) ARG1ARG2KDM4EALDH1A1SIGMAR1

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
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed