SCHEMBL13639312

SCHEMBL13639312

COc1ccc([N+](=O)O)cc1OCc1c(-c2ccc(OC(=O)c3ccccc3C)cc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.53
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
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
PDCD1 Q15116 5/20 0.32
CD274 Q9NZQ7 5/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4147740 0.94 IL6 (0.53) IL6NPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4135792 0.86 IL6 (0.72) IL6NPC1KMT2AMEN1CASP3
SCHEMBL4132008 0.83 IL6 (0.51) IL6NPC1KMT2AMEN1CASP3
SCHEMBL4582436 0.83 IL6 (0.51) IL6NPC1KMT2AMEN1CASP3
SCHEMBL4581594 0.82 IL6 (0.73) IL6KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4147183 0.81 IL6 (0.50) IL6KDM4EPDCD1CD274ALDH1A1
SCHEMBL13639299 0.81 IL6 (0.49) IL6NPC1KMT2AMEN1CASP3
SCHEMBL4580854 0.81 IL6 (0.71) IL6KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4143840 0.81 IL6 (0.55) IL6NPC1KMT2AMEN1CASP3
SCHEMBL4145235 0.80 IL6 (0.37) IL6NPC1KMT2AMEN1CASP3

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