SCHEMBL7861749

SCHEMBL7861749

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
BRS3 P32247 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 2/20 0.35
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
NAMPT P43490 2/20 0.34
NR3C2 P08235 1/20 0.33
HTR2B P41595 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7861740 0.89 HDAC1 (0.40) HDAC1AKR1C3AKR1C2NAMPTNR3C2
SCHEMBL8204858 0.82 GAA (0.36) HDAC1BRS3KDM5AKDM4CKDM5B
SCHEMBL7668328 0.81 BCL2L1 (0.38) BRS3NAMPTHTR2B
SCHEMBL7668332 0.81 BCL2L1 (0.38) BRS3NAMPTHTR2B
SCHEMBL7866874 0.77 KMO (0.39) KDM5AKDM4CKDM5BNAMPT
SCHEMBL7669536 0.75 TBXAS1 (0.56)
SCHEMBL7564437 0.74 BRS3 (0.36) BRS3KDM5AKDM4CKDM5BNAMPT
SCHEMBL7673796 0.71 SLC6A4 (0.43) NAMPTHTR2BSMN1; SMN2
SCHEMBL7673802 0.71 SLC6A4 (0.43) NAMPTHTR2BSMN1; SMN2
SCHEMBL8205928 0.71 NAMPT (0.39) HDAC1NAMPTGAASMN1; SMN2

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