SCHEMBL8324549

SCHEMBL8324549

COC(=O)c1c(-c2ccccc2)ccnc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
PRKCZ Q05513 1/20 0.48
PTGS1 P23219 1/20 0.44
SLC6A3 Q01959 1/20 0.43
FGFR1 P11362 2/20 0.43
SRC P12931 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43
FGFR3 P22607 2/20 0.43
SMN1; SMN2 Q16637 3/20 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
SCHEMBL8322476 0.87 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9161706 0.85 SLC6A3 (0.49) LMNAMEN1KMT2AALDH1A1PRKCZ
SCHEMBL9181608 0.83 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10900359 0.82 FOLH1 (0.41) LMNAALDH1A1FGFR1SMN1; SMN2KDM4E
SCHEMBL3519072 0.82 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13752829 0.82 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8802417 0.78 ALDH1A1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9179968 0.78 SMN1; SMN2 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13228930 0.78 HTT (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL851906 0.76 HTT (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752424-B1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-06-16 EP disclosed
US-5877120-A Nicotinic acid derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-03-02 US disclosed
EP-0752424-A1 NICOTINIC ACID DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-01-08 EP disclosed