SCHEMBL6485501

SCHEMBL6485501

Cc1cc(F)cc(C(C)(C(=O)O)C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 3/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GALR3 O60755 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL31619374 0.79 EPAS1 (0.41) ALDH1A1KMT2APOLBTSHRTDP1
SCHEMBL27661526 0.79 EPAS1 (0.41) ALDH1A1KMT2APOLBTSHRTDP1
SCHEMBL11323444 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EPOLBTSHR
SCHEMBL1056321 0.74 PKM (0.46) ALDH1A1KMT2AKDM4EPOLBTSHR
SCHEMBL31184710 0.74 PKM (0.46) ALDH1A1KMT2AKDM4EPOLBTSHR
SCHEMBL8769259 0.72 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRTDP1MAPT
SCHEMBL20241509 0.71 TDP1 (0.44) ALDH1A1KMT2APOLBTSHRTDP1
SCHEMBL27847552 0.71 TDP1 (0.46) ALDH1A1TDP1MAPTL3MBTL1NPSR1
SCHEMBL21633000 0.70 PARP1 (0.40) ALDH1A1KMT2AKDM4EPOLBTDP1
SCHEMBL5074280 0.70 ALDH1A1 (0.46) ALDH1A1KMT2APOLBTSHRTDP1

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-6900335-B2 Process for producing 5-fluorooxindole and for producing intermediates therefor UBE INDUSTRIES, LTD. (JP) 2005-05-31 US disclosed