SCHEMBL9527683

SCHEMBL9527683

CCOC(=O)Oc1cc2c(cn1)[nH]c1ccc(C#Cc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.54
GABRG2 P18507 16/20 0.54
GABRB3 P28472 16/20 0.54
GABRA3 P34903 16/20 0.54
GABRA2 P47869 16/20 0.54
GABRA5 P31644 15/20 0.54
GABRA4 P48169 13/20 0.54
GABRA6 Q16445 13/20 0.54
GABRP O00591 9/20 0.48
GABRD O14764 9/20 0.48
GABRB1 P18505 9/20 0.48
GABRB2 P47870 9/20 0.48
GABRE P78334 9/20 0.48
GABRG1 Q8N1C3 9/20 0.48
GABRG3 Q99928 9/20 0.48
GABRQ Q9UN88 9/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL9835964 0.84 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9840075 0.84 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9075631 0.83 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9534278 0.82 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7502529 0.80 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9840344 0.78 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9840082 0.78 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9839096 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11085907 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10377163 0.77 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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-0557497-A1 NEW $g(b)-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
WO-1993006100-A1 NEW β-CARBOLIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed