SCHEMBL9541207

SCHEMBL9541207

CCSC(=O)c1cc(C)c(F)cc1N

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MTOR P42345 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9543951 0.80 CFTR (0.32) MTORALDH1A1HSD17B10MAPTTDP1
SCHEMBL9540048 0.80 HPGD (0.34) MTORALDH1A1HSD17B10MAPTTDP1
SCHEMBL23813891 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPT
SCHEMBL3530679 0.77 KEAP1 (0.50) ALDH1A1HSD17B10MAPTTDP1
SCHEMBL5951820 0.77 DGAT1 (0.40) HDAC1HDAC6CYP1A2MAPTTDP1
SCHEMBL22598097 0.75 GSK3B (0.41) ALDH1A1MAPT
SCHEMBL30884757 0.75 GSK3B (0.41) ALDH1A1MAPT
SCHEMBL376859 0.72 KDM4E (0.56) ALDH1A1HSD17B10MAPT
SCHEMBL31473552 0.72 GAA (0.46) MTORHDAC1HDAC6CYP1A2
SCHEMBL9541212 0.70 ALDH1A1 (0.33) ALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed