SCHEMBL13639303

SCHEMBL13639303

COc1cc(OC(=O)c2ccccc2F)ccc1-c1ccc2c(c1COC(=O)C1CC=C(C)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.47
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
PRNP P04156 1/20 0.30

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
SCHEMBL14015809 0.94 IL6 (0.46) IL6MAPTKMT2APDCD1CD274
SCHEMBL14015601 0.91 IL6 (0.46) IL6MAPTLMNAKMT2APRNP
SCHEMBL13639351 0.89 IL6 (0.46) IL6MAPTKMT2APRNP
SCHEMBL14015532 0.88 IL6 (0.44) IL6MAPTLMNAKMT2A
SCHEMBL13639348 0.88 IL6 (0.44) IL6KMT2A
SCHEMBL13639338 0.87 IL6 (0.51) IL6MAPTLMNA
SCHEMBL14015592 0.87 IL6 (0.44) IL6MAPTKMT2A
SCHEMBL13639311 0.87 IL6 (0.46) IL6MAPTKMT2APDCD1CD274
SCHEMBL14015559 0.87 IL6 (0.45) IL6MAPTTHRBKMT2A
SCHEMBL14015603 0.86 IL6 (0.46) IL6MAPTKMT2A

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
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed