SCHEMBL13623581

SCHEMBL13623581

C=C(C)Cc1ccc(-n2ccc(N)n2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
GRIA1 P42261 3/20 0.34
AOC3 Q16853 3/20 0.32
EGLN1 Q9GZT9 4/20 0.31
GRN P28799 1/20 0.31

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
SCHEMBL13623262 0.81 NOS3 (0.36) GRIA1EGLN1GRNSORT1
SCHEMBL20390770 0.78 EGLN1 (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14302852 0.78 EGLN1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13615808 0.77 CPB2 (0.36) GRIA1EGLN1
SCHEMBL13514074 0.76 LMNA (0.50) GRNSORT1
SCHEMBL4353130 0.75 IDO1 (0.38) EGLN1
SCHEMBL13623091 0.72 NOS3 (0.48)
SCHEMBL13514024 0.72 EGLN1 (0.38) EGLN1
SCHEMBL20390799 0.72 GRIN2D (0.38)
SCHEMBL14397900 0.71 EGLN1 (0.38) AOC3EGLN1

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-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed