SCHEMBL8900960

SCHEMBL8900960

Fc1ccc(-c2[c]c(C3CC3)nc(-c3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
VCP P55072 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TOP1 P11387 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 3/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL8846284 0.73 MAPT (0.43) MAPTKDM4ENPSR1L3MBTL1MAPK1
SCHEMBL526301 0.70 PRKAA2 (0.49) ALDH1A1KMT2AADORA2AHPGDCYP19A1
SCHEMBL8877091 0.69 PRKAA2 (0.60) MAPTKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL28196237 0.68 MAPT (0.65) MAPTKDM4ENPSR1L3MBTL1MAPK1
SCHEMBL28255854 0.68 MEN1 (0.66) MAPTKDM4ENPSR1L3MBTL1MAPK1
SCHEMBL4355827 0.68 MAPT (0.65) MAPTKDM4ENPSR1L3MBTL1MAPK1
SCHEMBL31291015 0.68 MAPT (0.65) MAPTKDM4ENPSR1L3MBTL1MAPK1
SCHEMBL7024221 0.68 MEN1 (0.47) MAPTKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL8877652 0.67 HMGCR (0.44) MAPTVCPTOP1ADORA2AADORA1
SCHEMBL8880672 0.67 MAPT (0.47) MAPTKDM4EVCPTOP1ADORA2A

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-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed