SCHEMBL28289148

SCHEMBL28289148

CC(C)(C)C(=O)c1c[nH]c2ccc(Br)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.62
GABRB2 P47870 3/20 0.62
GABRB1 P18505 1/20 0.62
GABRA3 P34903 1/20 0.62
NR4A2 P43354 1/20 0.56
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL24144238 0.90 NR4A2 (0.64) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28289130 0.84 CFTR (0.54) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL28287817 0.84 KDM4E (0.71) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28287772 0.83 F7 (0.59) NR4A2KDM4EHSD17B10
SCHEMBL28289143 0.83 KDM4E (0.69) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL27795085 0.82 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL2979894 0.82 KDM4E (0.68) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28287753 0.82 MEN1 (0.59) GABRA1GABRB2KDM4EHSD17B10
SCHEMBL28289156 0.82 HSD17B10 (0.56) GABRA1GABRB2GABRB1GABRA3KDM4E
SCHEMBL28872023 0.81 KDM4E (0.61) NR4A2KDM4EHSD17B10MTNR1AMTNR1B

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-109651247-A A kind of green high-efficient synthetic method of carbostyril compound 云南民族大学 2019-04-19 CN disclosed