SCHEMBL14015809

SCHEMBL14015809

COc1cc(OC(=O)c2ccccc2C)ccc1-c1ccc2c(c1COC(=O)C1CC=C(C)S1)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.46
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
PRNP P04156 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13639311 0.94 IL6 (0.46) IL6NPC1KMT2AMEN1CASP3
SCHEMBL13639303 0.94 IL6 (0.47) IL6KMT2APDCD1CD274PRNP
SCHEMBL14015601 0.92 IL6 (0.46) IL6KMT2AMEN1PRNPMAPT
SCHEMBL13639348 0.90 IL6 (0.44) IL6KMT2A
SCHEMBL13639351 0.90 IL6 (0.46) IL6KMT2APRNPMAPT
SCHEMBL14015592 0.90 IL6 (0.44) IL6KMT2AMAPT
SCHEMBL14015532 0.89 IL6 (0.44) IL6KMT2AMEN1MAPTRAB9A
SCHEMBL13639338 0.89 IL6 (0.51) IL6MAPTSMN1; SMN2
SCHEMBL14015559 0.88 IL6 (0.45) IL6KMT2AMAPT
SCHEMBL14015534 0.88 IL6 (0.45) IL6

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-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed