SCHEMBL6908332

SCHEMBL6908332

CCCOC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.34
NOTUM Q6P988 1/20 0.34
MYC P01106 1/20 0.34
XPA P23025 2/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6699195 0.92 CYP4F2 (0.44) ALDH1A1SMN1; SMN2CYP4F2CYP4A11BAZ2B
SCHEMBL14036918 0.90 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2ESR2CTSBTDP1
SCHEMBL6697536 0.86 MEN1 (0.44) ALDH1A1SMN1; SMN2CTSBTDP1PDK2
SCHEMBL8993584 0.86 MEN1 (0.37) ALDH1A1KMT2AMAPK1NPSR1HSD17B10
SCHEMBL9544296 0.86 HPGD (0.34) ALDH1A1SMN1; SMN2CTSBTDP1NOTUM
SCHEMBL9423187 0.84 TDP1 (0.38) ALDH1A1CTSBTDP1NOTUMNPSR1
SCHEMBL6553785 0.84 CYP4F2 (0.34) CYP4F2CYP4A11BAZ2BBAZ2ACTSB
SCHEMBL6553650 0.84 CYP4F2 (0.34) ALDH1A1CYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL44446 0.83 ALDH1A1 (0.38) ALDH1A1CTSBTDP1PDK2NOTUM
SCHEMBL4897613 0.83 ALDH1A1 (0.38) ALDH1A1CTSBTDP1PDK2NOTUM

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
US-6734139-B1 N-aryl-uracile-based herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed