SCHEMBL4581832

SCHEMBL4581832

COc1cc(OC(=O)Nc2cccnc2)ccc1-c1ccc2c(c1C(N)c1ccccc1OC)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.41
SMPD3 Q9NY59 1/20 0.41
IL6 P05231 6/20 0.39
BCHE P06276 4/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
AHR P35869 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4142446 0.88 LMNA (0.46) IL6MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL4581834 0.83 IL6 (0.44) ACHESMPD3IL6NPC1MAPT
SCHEMBL1314299 0.82 MAPT (0.46) ACHESMPD3NPC1MAPTSMN1; SMN2
SCHEMBL13639369 0.80 ACHE (0.40) ACHESMPD3BCHENPC1MAPT
SCHEMBL4129531 0.79 IL6 (0.41) IL6KDM4EALDH1A1
SCHEMBL4580599 0.79 IL6 (0.41) IL6MAPTKDM4ELMNATDP1
SCHEMBL4140035 0.79 IL6 (0.42) IL6
SCHEMBL4135861 0.79 IL6 (0.66) ACHESMPD3IL6
SCHEMBL15295468 0.76 MAPT (0.44) IL6MAPTSMN1; SMN2TSHRLMNA
SCHEMBL6114280 0.76 IL6 (0.42) IL6MAPTSMN1; SMN2LMNATDP1

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