SCHEMBL28289141

SCHEMBL28289141

O=C(c1c[nH]c2ccc(Br)cc2c1=O)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.57
GABRB2 P47870 2/20 0.57
GABRB1 P18505 1/20 0.57
GABRA3 P34903 1/20 0.57
NR4A2 P43354 1/20 0.51
MAPT P10636 1/20 0.51
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.43
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL28287768 0.89 HTR3E (0.47) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28289237 0.83 F7 (0.57) NR4A2HTR3EHTR3BHTR3AHTR3D
SCHEMBL28289146 0.83 KDM4E (0.68) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28872119 0.83 HTR3E (0.50) GABRA1GABRB2GABRB1GABRA3HTR3E
SCHEMBL28287797 0.81 HSD17B10 (0.54) GABRA1GABRB2GABRB1GABRA3HTR3E
SCHEMBL27795085 0.81 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL2979894 0.81 KDM4E (0.68) GABRA1GABRB2GABRB1GABRA3NR4A2
SCHEMBL28287756 0.80 CFTR (0.49) GABRA1GABRB2GABRB1GABRA3HTR3E
SCHEMBL28289125 0.80 KDM4E (0.62) NR4A2MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL28289144 0.80 KMT2A (0.55) GABRA1GABRB2MAPTHTR3EHTR3B

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