SCHEMBL18023045

SCHEMBL18023045

CCOc1nc2ccccc2cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
GAA P10253 3/20 0.60
TLR8 Q9NR97 5/20 0.53
KDM4E B2RXH2 4/20 0.52
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
ACHE P22303 1/20 0.42
BCL2L11 O43521 1/20 0.42
BID P55957 1/20 0.42

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
SCHEMBL28310888 0.81 TLR8 (0.68) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL18023063 0.81 ALDH1A1 (0.62) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL18023061 0.80 TLR8 (0.49) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL31574614 0.80 L3MBTL1 (0.55) ALDH1A1GAAKDM4EHRH4MAPT
SCHEMBL28320053 0.79 TLR8 (0.61) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL18023034 0.79 ALDH1A1 (0.60) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL18641090 0.79 ALDH1A1 (0.65) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL9091724 0.79 ALDH1A1 (0.60) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL27389447 0.78 ALDH1A1 (0.59) ALDH1A1GAATLR8KDM4EHRH4
SCHEMBL27458779 0.77 HRH4 (0.59) ALDH1A1GAATLR8KDM4EHRH4

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
EP-2429568-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-08-17 EP disclosed