SCHEMBL20683409

SCHEMBL20683409

BCCCCC(N)(C(=O)O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ABL1 P00519 1/20 0.56
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ARG1 P05089 1/20 0.48
ARG2 P78540 1/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 1/20 0.48
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
CYP3A4 P08684 1/20 0.45
HTT P42858 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
SCHEMBL894946 0.89 ARG1 (0.62) LMNAKDM4EABL1ALDH1A1MEN1
SCHEMBL30169855 0.89 ARG1 (0.62) LMNAKDM4EABL1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL895133 0.88 ARG1 (0.61) LMNAKDM4EABL1ALDH1A1MEN1
SCHEMBL20683534 0.85 ARG1 (0.50) KDM4EARG1ARG2MAPT
SCHEMBL20683420 0.85 FFAR4 (0.50) KDM4EALDH1A1ARG1ARG2MAPT
SCHEMBL20683476 0.81 MAPT (0.52) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL20683387 0.80 ARG1 (0.43) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL20683451 0.77 ADRB1 (0.47) KMT2AARG1ARG2CHRM4
SCHEMBL895072 0.75 ARG1 (0.66) KDM4EARG1ARG2MAPT
SCHEMBL30170023 0.75 ARG1 (0.66) KDM4EARG1ARG2MAPT

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