SCHEMBL28069957

SCHEMBL28069957

COC(=O)c1cc2ccc(=O)[nH]c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.53
GABRG2 P18507 7/20 0.53
GABRB3 P28472 7/20 0.53
GABRA5 P31644 7/20 0.53
GABRA3 P34903 7/20 0.53
GABRA2 P47869 6/20 0.53
GABRP O00591 4/20 0.53
GABRD O14764 4/20 0.53
GABRB1 P18505 4/20 0.53
GABRB2 P47870 4/20 0.53
GABRA4 P48169 4/20 0.53
GABRE P78334 4/20 0.53
GABRA6 Q16445 4/20 0.53
GABRG1 Q8N1C3 4/20 0.53
GABRG3 Q99928 4/20 0.53
GABRQ Q9UN88 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL28292086 0.80 LCK (0.49) HPGDCYP3A4LCKMAPK1CA12
SCHEMBL28447307 0.79 CA12 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29721954 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3830369 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31017194 0.78 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8344794 0.75 CA12 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30159581 0.74 CREBBP (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16881173 0.74 CREBBP (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4805737 0.74 SMYD3 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14494403 0.73 CA12 (0.55) MAPTCYP1A2MAPK1CA12CA9

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
CN-103608346-B As the 7-naphthyridine derivatives of hypoxia inducible factor (HIF) hydroxylase inhibitors 菲布罗根有限公司 2016-06-15 CN disclosed