SCHEMBL8552531

SCHEMBL8552531

CC(C)(C)[Si](C)(C)OC(CCc1cccnc1)COc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LRRK2 Q5S007 6/20 0.35
CTSS P25774 1/20 0.34
S1PR4 O95977 1/20 0.34
ALPL P05186 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
NOTUM Q6P988 1/20 0.32
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL8477349 1.00 MEN1 (0.36) MEN1KMT2ALRRK2CTSSS1PR4
SCHEMBL8480353 0.87 AAK1 (0.39) CTSSS1PR4ALPLALDH1A1AAK1
SCHEMBL7774645 0.82 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL7773936 0.82 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL8551128 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL7770375 0.79 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL7774215 0.76 GRM2 (0.34) MEN1KMT2AALDH1A1RAB9A
SCHEMBL2146575 0.75 CTSS (0.49) MEN1KMT2ALRRK2CTSSS1PR4
SCHEMBL7766496 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1NOTUMRAB9A
SCHEMBL7771575 0.73 MEN1 (0.39) MEN1KMT2AALDH1A1NOTUMRAB9A

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-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed