SCHEMBL4581403

SCHEMBL4581403

COc1cc(OC(=O)c2ccccc2C)ccc1-c1ccc2c(c1C(N)c1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
MAPT P10636 6/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL1918343 0.84 IL6 (0.58) IL6
SCHEMBL4581405 0.82 IL6 (0.57) IL6SMN1; SMN2LMNAKDM4EHTT
SCHEMBL4135792 0.82 IL6 (0.72) IL6SMN1; SMN2LMNAKDM4EHTT
SCHEMBL448821 0.81 IL6 (0.52) IL6TP53
SCHEMBL4129531 0.80 IL6 (0.41) IL6KDM4EALDH1A1
SCHEMBL4580599 0.80 IL6 (0.41) IL6LMNAKDM4EMAPTGAA
SCHEMBL4140035 0.79 IL6 (0.42) IL6
SCHEMBL4142446 0.79 LMNA (0.46) IL6SMN1; SMN2LMNAKDM4EHTT
SCHEMBL4581594 0.79 IL6 (0.73) IL6SMN1; SMN2LMNAKDM4EHTT
SCHEMBL4143840 0.78 IL6 (0.55) IL6SMN1; SMN2LMNAKDM4EHTT

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