SCHEMBL7600617

SCHEMBL7600617

CC(=O)Nc1cc(Oc2ccccc2OC(C)=O)c(N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
TOP1 P11387 2/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
S1PR2 O95136 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL3250913 0.88 HDAC1 (0.39) NPSR1HDAC1HDAC3HDAC2CA1
SCHEMBL6248183 0.86 CA1 (0.43) HDAC1HDAC3HDAC2CA1CA2
SCHEMBL7577594 0.85 ESRRA (0.44) NPSR1TOP1MEN1KMT2ALMNA
SCHEMBL3240280 0.83 L3MBTL1 (0.44) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL13841331 0.82 GAA (0.41) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL3245195 0.81 KMT2A (0.45) NPSR1MEN1KMT2ALMNAGAA
SCHEMBL25095850 0.74 MEN1 (0.42) MEN1KMT2AGAAMAPTHTT
SCHEMBL3244227 0.74 ATM (0.42) NPSR1MEN1KMT2AGAAMAPT
SCHEMBL14639177 0.73 P2RY1 (0.43) NPSR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3248294 0.73 KDM4E (0.39) TOP1KMT2ALMNAGAAHSD17B10

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
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed