SCHEMBL8605403

SCHEMBL8605403

CC(C)OC(=O)N[C@H](C(=O)NCC(=O)Nc1ccc(C#N)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
POLB P06746 3/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TP53 P04637 1/20 0.39
PAX8 Q06710 1/20 0.38
RAB9A P51151 2/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 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
SCHEMBL4771937 0.76 RAB9A (0.61) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL8607282 0.75 MEN1 (0.45) MAPTKMT2AMEN1POLBCTSS
SCHEMBL8607274 0.75 MEN1 (0.45) MAPTKMT2AMEN1POLBCTSS
SCHEMBL21153770 0.71 CA2 (0.52) KMT2AMEN1CTSSCTSK
SCHEMBL8052509 0.71 PTPN11 (0.53) MAPTKMT2AALDH1A1GAAMEN1
SCHEMBL24476307 0.70 CA2 (0.51) KMT2AMEN1CTSSCTSK
SCHEMBL22300573 0.70 CA2 (0.51) KMT2AALDH1A1MEN1CTSSCTSK
SCHEMBL23543566 0.70 TERT (0.40) KMT2AGAAMEN1POLBTP53
SCHEMBL27261814 0.70 ITGB3 (0.47) MAPTKMT2AGAAMEN1POLB
SCHEMBL25145220 0.70 HTT (0.51) KMT2AALDH1A1GAAMEN1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed