SCHEMBL4580440

SCHEMBL4580440

COC(=O)c1ccc(OC)c(-c2ccc3c(c2CNc2ccccc2OC)N(C)C(=O)C(C)(C)N3)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.51
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4581470 0.93 IL6 (0.51) IL6ALDH1A1POLBKDM4EAPOBEC3A
SCHEMBL4581420 0.88 IL6 (0.54) IL6ALDH1A1POLBKDM4EAPOBEC3A
SCHEMBL4580978 0.87 IL6 (0.64) IL6ALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4580757 0.87 IL6 (0.51) IL6ALDH1A1KDM4EMEN1MAPT
SCHEMBL4581523 0.86 IL6 (0.47) IL6ALDH1A1POLBKDM4EMEN1
SCHEMBL14015542 0.86 IL6 (0.51) IL6ALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4580830 0.85 IL6 (0.49) IL6ALDH1A1POLBMEN1MAPT
SCHEMBL4132793 0.85 IL6 (0.51) IL6KDM4EMAPT
SCHEMBL4580706 0.85 IL6 (0.48) IL6ALDH1A1POLBKDM4EMEN1
SCHEMBL4140502 0.84 IL6 (0.56) IL6ALDH1A1POLBKDM4EAPOBEC3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
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