SCHEMBL8213601

SCHEMBL8213601

CCCCOC(=O)NC(CCC(C)=O)(SC)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 2/20 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
SCHEMBL8203702 0.81 POLB (0.43) POLBL3MBTL1SMN1; SMN2LMNARAB9A
SCHEMBL7277277 0.73 GAA (0.44) GAAPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL24702068 0.68 TSHR (0.45) GAAPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL1921112 0.68 SMN1; SMN2 (0.59) GAAL3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL30890579 0.67 HPGD (0.65) GAAPOLBSMN1; SMN2RAB9AHPGD
SCHEMBL8203980 0.67 TSHR (0.44) GAAPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL8192515 0.66 TSHR (0.43) GAAL3MBTL1SMN1; SMN2LMNARAB9A
SCHEMBL8507123 0.66 HPGD (0.67) POLBL3MBTL1SMN1; SMN2RAB9AHPGD
SCHEMBL21742341 0.66 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL6122738 0.65 HPGD (0.47) GAAPOLBL3MBTL1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed