SCHEMBL7668232

SCHEMBL7668232

COC(=O)c1ccc(/C=C/Cc2nccn2C)cc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NAMPT P43490 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35

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
SCHEMBL7668237 1.00 SLC6A4 (0.42) SLC6A4SLC6A3NAMPTSMN1; SMN2NPC1
SCHEMBL7674887 0.89 NAMPT (0.39) NAMPTMEN1KMT2ATUBB4ATUBB
SCHEMBL7674885 0.89 NAMPT (0.39) NAMPTMEN1KMT2ATUBB4ATUBB
SCHEMBL7660971 0.85 HSP90AA1 (0.45) SLC6A4SLC6A3RAB9ALMNAHSP90AA1
SCHEMBL7660976 0.85 HSP90AA1 (0.45) SLC6A4SLC6A3RAB9ALMNAHSP90AA1
SCHEMBL7663134 0.84 SLC6A4 (0.41) SLC6A4SLC6A3SMN1; SMN2NPC1CASP3
SCHEMBL7663143 0.84 SLC6A4 (0.41) SLC6A4SLC6A3SMN1; SMN2NPC1CASP3
SCHEMBL7660882 0.81 SLC6A4 (0.42) SLC6A4SLC6A3NAMPTSMN1; SMN2NPC1
SCHEMBL7660875 0.81 SLC6A4 (0.42) SLC6A4SLC6A3NAMPTSMN1; SMN2NPC1
SCHEMBL7661039 0.80 SLC6A3 (0.55) SLC6A4SLC6A3SMN1; SMN2NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486156-B1 Chemical compounds ASTRAZENECA AB (SE) 2002-11-26 US disclosed
EP-1140858-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000039716-A2 ARYLPROPENYLIMIDAZOLES AS FARNESYL-PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed