SCHEMBL9524319

SCHEMBL9524319

COCc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(-c4ccc(Cl)cc4Cl)c3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.42
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA5 P31644 13/20 0.42
GABRA3 P34903 13/20 0.42
GABRA2 P47869 12/20 0.42
GABRP O00591 11/20 0.42
GABRD O14764 11/20 0.42
GABRB1 P18505 11/20 0.42
GABRB2 P47870 11/20 0.42
GABRA4 P48169 11/20 0.42
GABRE P78334 11/20 0.42
GABRA6 Q16445 11/20 0.42
GABRG1 Q8N1C3 11/20 0.42
GABRG3 Q99928 11/20 0.42
GABRQ Q9UN88 11/20 0.42
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9524549 0.89 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9074930 0.86 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524776 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524212 0.82 GABRA5 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9537309 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838524 0.82 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9524733 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8906940 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9838100 0.82 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9523501 0.82 GABRA1 (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-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