SCHEMBL27768461

SCHEMBL27768461

CC(=O)Oc1c(C)n(C(=O)c2ccc(OC(F)F)s2)c2cc(F)c(O)cc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27789938 0.90 KDM4E (0.30) KDM4ETP53GAAMAPTHTT
SCHEMBL27790155 0.86 DAO (0.35) KDM4ETP53GAAMAPTHTT
SCHEMBL27789989 0.84 ALDH1A1 (0.34) KDM4ETP53GAAMAPTHTT
SCHEMBL27768515 0.83
SCHEMBL27905726 0.82 PTGS1 (0.40) MAPT
SCHEMBL2007877 0.82 AKR1C3 (0.42) KDM4EMAPT
SCHEMBL27768504 0.82
SCHEMBL15062606 0.80 KDM4E (0.30) KDM4ETP53GAAMAPTHTT
SCHEMBL6423406 0.79 KMT2A (0.37) KDM4ETP53GAAMAPTHTT
SCHEMBL27790007 0.79

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
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed