SCHEMBL20683433

SCHEMBL20683433

CC(N)(CCCCB(O)O)CCNC(=S)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ IDO1 P14902 1/20 0.44
▸ MAPT P10636 11/20 0.43
▸ ALDH1A1 P00352 9/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ GAA P10253 5/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HTT P42858 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ ACHE P22303 1/20 0.39

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
SCHEMBL30169871 0.84 LMNA (0.49) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL895073 0.84 LMNA (0.49) LMNASMN1; SMN2IDO1MAPTALDH1A1
Hydrochloric Acid SCHEMBL894306 0.83 LMNA (0.48) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL19055955 0.73 ARG1 (0.47) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL10786460 0.70 LMNA (0.82) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL13737508 0.70 LMNA (0.63) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL10662740 0.70 LMNA (0.67) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL13735975 0.68 LMNA (0.69) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL4555003 0.66 IDO1 (0.78) LMNASMN1; SMN2IDO1MAPTALDH1A1
SCHEMBL20683491 0.66 ARG1 (0.48) ALDH1A1HTT

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
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