SCHEMBL9470930

SCHEMBL9470930

CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
HSP90AA1 P07900 2/20 0.71
GPR55 Q9Y2T6 1/20 0.71
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 3/20 0.47
ATM Q13315 2/20 0.47
RECQL P46063 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
SCHEMBL9471936 0.85 MAPT (0.73) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL9471336 0.84 MAPT (0.67) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL9471183 0.83 MAPT (0.71) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL9471206 0.83 MAPT (0.71) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL10698727 0.83 MAPT (1.00) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL9471441 0.81 HSP90AA1 (0.67) MAPTHSP90AA1GPR55ALDH1A1MEN1
SCHEMBL9471221 0.78 MAPT (0.62) MAPTHSP90AA1GPR55MEN1KMT2A
SCHEMBL6977552 0.77 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5417260 0.75 MEN1 (0.51) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9470985 0.75 MAPT (0.63) MAPTHSP90AA1GPR55ALDH1A1MEN1

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-5266597-A Applying a fungicides EASTMAN KODAK COMPANY (US) 1993-11-30 US claimed
EP-0487154-A1 Fungicidal use of 2-acylacetanilide derivatives EASTMAN KODAK COMPANY (US) 1992-05-27 EP claimed
US-5266597-A Applying a fungicides EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
US-5155136-A FUNGICIDAL, 2-ACYLACETANILIDE DERIVATIVES EASTMAN KODAK COMPANY (US) 1992-10-13 US disclosed
EP-0487154-A1 Fungicidal use of 2-acylacetanilide derivatives EASTMAN KODAK COMPANY (US) 1992-05-27 EP disclosed