SCHEMBL8028835

SCHEMBL8028835

CCCOc1cc(Br)ccc1COc1ccc(C(F)(F)F)cc1-c1cccc(N2CCC(C(=O)OCC)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
CCR5 P51681 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
PTGER1 P34995 2/20 0.39
GUCY1B2 O75343 3/20 0.38
GUCY1A2 P33402 3/20 0.38
GUCY1A1 Q02108 3/20 0.38
GUCY1B1 Q02153 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3624510 0.89 CCR5 (0.42) L3MBTL1CCR5KMT2AMAPK1MEN1
SCHEMBL4000653 0.82 TP53 (0.47) L3MBTL1KMT2AMAPK1MEN1KDM4E
SCHEMBL3625792 0.81 LMNA (0.38) L3MBTL1CCR5KMT2AMEN1PTGER1
SCHEMBL3995161 0.80 CCR5 (0.51) CCR5KMT2AMAPK1MEN1PTGER1
SCHEMBL4000871 0.80 L3MBTL1 (0.38) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3628788 0.80 KMT2A (0.45) L3MBTL1CCR5KMT2AMAPK1MEN1
SCHEMBL3997734 0.79 L3MBTL1 (0.47) L3MBTL1MAPK1KDM4EMAPTALDH1A1
SCHEMBL3997114 0.78 ITGB2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1HPGD
SCHEMBL17609412 0.77 ALDH1A1 (0.41) L3MBTL1CCR5KMT2AMAPK1MEN1
SCHEMBL17609408 0.74 GUCY1B2 (0.46) CCR5KMT2AMAPK1MEN1GUCY1B2

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
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed