SCHEMBL28262349

SCHEMBL28262349

N#Cc1cccc(NC(=O)OC(=O)C2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ TSHR P16473 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ TP53 P04637 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GRM4 Q14833 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL4599396 0.82 TP53 (0.69) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL4598556 0.79 MAPT (0.62) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL28263497 0.78 GAA (0.53) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL28360244 0.78 MEN1 (0.53) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL4312525 0.77 MAPT (0.54) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL27570585 0.77 KMT2A (0.54) KMT2ATSHRMAPTALDH1A1MEN1
SCHEMBL30606801 0.75 MAPT (0.87) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL29580531 0.75 MAPT (0.87) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL5554181 0.75 MAPT (0.57) KMT2AMAPTALDH1A1MEN1TP53
SCHEMBL24755632 0.74 CYP1A2 (0.61) KMT2ATSHRMAPTALDH1A1MEN1

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-108929324-A The preparation and application of novel 1,1- cyclopropyl diamide derivatives 南开大学 2018-12-04 — — CN disclosed
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