SCHEMBL13639371

SCHEMBL13639371

COc1cc(OC(=O)c2ccccc2C)ccc1-c1ccc2c3c1CN(c1cc(F)ccc1C)N3C(=O)C(C)(C)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.44
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 2/20 0.33
PDCD1 Q15116 6/20 0.32
CD274 Q9NZQ7 6/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL13639370 0.92 IL6 (0.38) IL6KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL14878781 0.88 IL6 (0.48) IL6KDM4EKMT2AMEN1ALDH1A1
SCHEMBL13639363 0.86 KMT2A (0.38) IL6KDM4EKMT2AMEN1POLB
SCHEMBL12533030 0.84 IL6 (0.52) IL6
SCHEMBL12533029 0.83 IL6 (0.50) IL6
SCHEMBL13639336 0.81 HCRTR1 (0.37) IL6KDM4ELMNAHTTKMT2A
SCHEMBL12533083 0.81 IL6 (0.43) IL6LMNAALDH1A1
SCHEMBL14015609 0.81 DRD2 (0.36) IL6KDM4ELMNAHTTKMT2A
SCHEMBL14015835 0.81 IL6 (0.39) IL6KDM4ELMNASMN1; SMN2POLB
SCHEMBL13639313 0.80 IL6 (0.47) IL6KMT2AMEN1

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