SCHEMBL12849807

SCHEMBL12849807

CC(C)Oc1c(-c2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ PTPRC P08575 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ PTPN13 Q12923 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL8564440 0.72 PLAUR (0.39) CDC25BPTPRCMAPTNPC1RAB9A
SCHEMBL7534819 0.70 MKNK1 (0.45) MAPTLMNASMN1; SMN2KMT2ABTK
SCHEMBL12849812 0.69 ALDH1A1 (0.35) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL8564127 0.69 KMT2A (0.39) CDC25BMAPTNPC1RAB9ACASP3
SCHEMBL3513772 0.69 MEN1 (0.46) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL30454073 0.69 MEN1 (0.46) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3943393 0.67 MAPT (0.46) CDC25BMAPTNPC1RAB9ACASP3
SCHEMBL8569652 0.65 PTGS2 (0.36) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL3232011 0.64 POLB (0.46) MAPTNPC1RAB9ANFKB1LMNA
SCHEMBL27761013 0.63 NPC1 (0.50) S100A4CDC25BMAPTNPC1RAB9A

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-2011034051-A1 NOVEL CYCLIC SQUARAMIDE DERIVATIVES 参天製薬株式会社 (JP) 2011-03-24 — — WO disclosed
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