SCHEMBL23480253

SCHEMBL23480253

CCCCCCNC(=O)Cc1c(C)c2cc(F)c(OCCCN)c(F)c2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CDYL Q9Y232 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ERN1 O75460 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
SCHEMBL23480250 0.97 CTDSP1 (0.45) CTDSP1DUSP3PTPN5PTPN11MEN1
SCHEMBL23480278 0.84 CTDSP1 (0.50) CTDSP1DUSP3PTPN5PTPN11MAPT
SCHEMBL23472100 0.83 SLC26A3 (0.48) CTDSP1DUSP3PTPN5PTPN11MEN1
SCHEMBL23472102 0.83 SLC26A3 (0.39) CTDSP1DUSP3PTPN5PTPN11MEN1
SCHEMBL23472064 0.77 SLC26A3 (0.42) CTDSP1DUSP3PTPN5PTPN11
SCHEMBL23471908 0.76 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23472098 0.76 CYP1A1 (0.44) CTDSP1DUSP3PTPN5PTPN11MEN1
SCHEMBL23472052 0.75 CYP1A1 (0.43) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23480802 0.72 SLC26A3 (0.46) CTDSP1DUSP3PTPN5PTPN11MEN1
SCHEMBL13554387 0.69 CTDSP1 (0.43) CTDSP1DUSP3PTPN5PTPN11KMT2A

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-2021110834-A2 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2021-06-10 — — WO disclosed
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