SCHEMBL26573272

SCHEMBL26573272

COC(=O)CNC(=O)c1ccc2c(c1)-c1ccc(C)cc1C2(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PDK2 Q15119 5/20 0.44
▸ PTPRC P08575 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL30571904 1.00 KDM4E (0.44) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26116013 0.88 PTPRC (0.51) KDM4ESMN1; SMN2ALDH1A1PDK2PTPRC
SCHEMBL26573347 0.87 KDM4E (0.50) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26560867 0.87 PDK2 (0.58) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26117162 0.84 PDK2 (0.55) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26115897 0.81 PDK2 (0.53) KDM4ESMN1; SMN2HSD17B10ALDH1A1PDK2
SCHEMBL26572934 0.81 ALDH1A1 (0.46) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL30571474 0.80 MAPK1 (0.44) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26120236 0.77 PDK2 (0.48) KDM4ETSHRSMN1; SMN2ALDH1A1PDK2
SCHEMBL26573487 0.76 PDK2 (0.43) KMT2AALDH1A1PDK2PTPRCMAPK14

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 — — WO disclosed
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