SCHEMBL13639305

SCHEMBL13639305

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
IL6 P05231 6/20 0.32
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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 0.88 IL6 (0.46) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL13890394 0.86 KMT2A (0.33) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL4581943 0.83 IL6 (0.33) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL4139580 0.82 ALDH1A1 (0.40) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL4581059 0.82 LMNA (0.36) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL4135760 0.81 KMT2A (0.37) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL14015809 0.81 IL6 (0.46) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL12658235 0.80 NR3C1 (0.39) MEN1KMT2AMAPT
SCHEMBL4581463 0.79 IL6 (0.39) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL12534159 0.79 IL6 (0.36) 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 2 patents. 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
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