SCHEMBL8116397

SCHEMBL8116397

CCOc1cc(F)c(N2CCN[C@H](C)C2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
PDE4D Q08499 2/20 0.35
GHSR Q92847 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
PMP22 Q01453 1/20 0.35
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 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
SCHEMBL8108211 0.91 BRPF1 (0.43) BRPF1BRD4FFAR4TLR9TLR8
SCHEMBL8110121 0.83 NCF1 (0.47) ALDH1A1LMNA
SCHEMBL3465162 0.81 ALDH1A1 (0.48) BRPF1BRD4ALDH1A1LMNAKDM4E
SCHEMBL3465161 0.81 ALDH1A1 (0.48) BRPF1BRD4ALDH1A1LMNAKDM4E
SCHEMBL13682949 0.81 BRPF1 (0.42) BRPF1BRD4TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL1639442 0.80 ALDH1A1 (0.50) BRPF1BRD4ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL1639438 0.80 ALDH1A1 (0.50) BRPF1BRD4ALDH1A1LMNAKDM4E
SCHEMBL8112635 0.78 TLR9 (0.48) KMT2ATLR9TLR8TLR7ALDH1A1
SCHEMBL8097421 0.75 ACACB (0.46) TLR9TLR8TLR7GHSR
SCHEMBL17543398 0.74 PDE4D (0.43) KMT2AFFAR4ALDH1A1LMNAKDM4E

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed