SCHEMBL6060451

SCHEMBL6060451

CCCCOC(=O)c1ncc2ccc(Oc3ccc(Cl)cc3)cc2c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN2 Q96KS0 2/20 0.39
PTGS2 P35354 5/20 0.38
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 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
SCHEMBL6060534 0.92 POLB (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6060882 0.91 MTNR1A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL523324 0.88 EGLN2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6060051 0.82 EGLN1 (0.48) ALDH1A1EGLN2MAPTCYP1A2KDM4E
SCHEMBL6060086 0.82 EGLN2 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6059991 0.82 PPARG (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL522454 0.81 EGLN1 (0.49) EGLN2ESR1
SCHEMBL6060515 0.79 ALOX5 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1034312 0.79 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL522814 0.78 EGLN2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO disclosed