SCHEMBL7861740

SCHEMBL7861740

COC(=O)c1cc(C=CCc2ncc[nH]2)ccc1CCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
NAMPT P43490 6/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PLA2G2A P14555 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.34
NR3C2 P08235 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL7861749 0.89 HDAC1 (0.41) HDAC1NAMPTAKR1C3AKR1C2NR3C2
SCHEMBL8205928 0.83 NAMPT (0.39) HDAC1NAMPTFFAR4PLA2G2A
SCHEMBL7673796 0.82 SLC6A4 (0.43) NAMPTPTPN1
SCHEMBL7673802 0.82 SLC6A4 (0.43) NAMPTPTPN1
SCHEMBL7856401 0.79 ALPL (0.39) HDAC1NAMPTFFAR4MAPTPTPN1
SCHEMBL7665829 0.77 TBXAS1 (0.47) PLA2G2A
SCHEMBL7665834 0.77 TBXAS1 (0.47) PLA2G2A
SCHEMBL7863041 0.72 PTGS2 (0.33) FFAR4HSP90AA1MAPTPTPN1PTGS2
SCHEMBL7668332 0.71 BCL2L1 (0.38) NAMPT
SCHEMBL7668328 0.71 BCL2L1 (0.38) NAMPT

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-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