SCHEMBL6880725

SCHEMBL6880725

OC/C(F)=C/c1ccc(-c2nnco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.51
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TLR8 Q9NR97 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6880734 1.00 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6880729 1.00 NOTUM (0.51) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL27594345 0.81 NOTUM (0.54) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6876954 0.76 LTA4H (0.42)
SCHEMBL6854128 0.76 LTA4H (0.42)
SCHEMBL6876949 0.76 LTA4H (0.42)
SCHEMBL6852304 0.75 NOTUM (0.50) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6852297 0.75 NOTUM (0.50) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL17694561 0.74 NOTUM (0.78) NOTUMKDM4EALDH1A1LMNATLR8
SCHEMBL6879785 0.73

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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed