SCHEMBL8725902

SCHEMBL8725902

COc1ccc(OC)c2c(OS(=O)(=O)C(F)(F)F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
SMARCA2 P51531 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
USP2 O75604 1/20 0.38
S100A4 P26447 1/20 0.38
MAOA P21397 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL12476299 0.87 MEN1 (0.41) GAAKMT2AMEN1HTR6DRD2
SCHEMBL6852260 0.85 MAPK1 (0.37) MAPTKMT2APOLBMEN1KDM4E
SCHEMBL8636736 0.84 IDO1 (0.46) ALDH1A1
SCHEMBL17487158 0.82 ALDH1A1 (0.39) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17071920 0.81 TRPV4 (0.37) MAPTKMT2APOLBMEN1PRMT1
SCHEMBL18117640 0.79 MAOA (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3454716 0.79 DRD2 (0.38) GAAKMT2AMEN1DRD2HTR1D
SCHEMBL5599606 0.79 CA1 (0.50) KMT2APOLBALDH1A1LMNAHTT
SCHEMBL29414143 0.79 CA1 (0.50) KMT2APOLBALDH1A1LMNAHTT
SCHEMBL12851817 0.78 SLC22A12 (0.38) ALDH1A1KDM4ELMNAHTTHTR6

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-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed