SCHEMBL9083240

SCHEMBL9083240

COC(=O)c1cc2c(COCc3ccccc3)c[nH]c2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.52
GABRG2 P18507 6/20 0.52
GABRB3 P28472 6/20 0.52
GABRA5 P31644 6/20 0.52
GABRA3 P34903 6/20 0.52
GABRA2 P47869 6/20 0.52
GABRP O00591 4/20 0.52
GABRD O14764 4/20 0.52
GABRB1 P18505 4/20 0.52
GABRB2 P47870 4/20 0.52
GABRA4 P48169 4/20 0.52
GABRE P78334 4/20 0.52
GABRA6 Q16445 4/20 0.52
GABRG1 Q8N1C3 4/20 0.52
GABRG3 Q99928 4/20 0.52
GABRQ Q9UN88 4/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PDE5A O76074 2/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL9386471 0.89 KMT2A (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2953007 0.80 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9081597 0.76 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2945211 0.76 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2951128 0.74 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2953162 0.74 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2953165 0.74 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28819880 0.71 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5333503 0.70 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4273795 0.70 GABRP (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484793-A NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1996-01-16 US disclosed