SCHEMBL28301487

SCHEMBL28301487

CC(C)(C)NC(=O)OCc1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
IDO1 P14902 2/20 0.40
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27627070 0.84 HCAR2 (0.52) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL27698218 0.83 KMT2A (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
Hydrochloric Acid SCHEMBL27698236 0.82 KMT2A (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
SCHEMBL19949252 0.81 MMP1 (0.48) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
SCHEMBL1334643 0.79 KDM4E (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL1336116 0.78 KDM4E (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1RAB9A
SCHEMBL13544042 0.77 MMP1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
SCHEMBL27813858 0.77 MEN1 (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1RAB9A
SCHEMBL14943189 0.76 MEN1 (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
SCHEMBL4442846 0.76 KMT2A (0.60) MEN1KMT2ASMN1; SMN2L3MBTL1SLC6A3

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
CN-106459003-B Pyrazole amide derivatives 帝人制药株式会社 2019-06-21 CN disclosed