SCHEMBL28074016

SCHEMBL28074016

Cc1cc(Cl)c(-n2nc(SOC(=O)O)c([S+](N)[O-])c2N)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 18/20 0.40
GABRD O14764 18/20 0.40
GABRA1 P14867 18/20 0.40
GABRB1 P18505 18/20 0.40
GABRG2 P18507 18/20 0.40
GABRB3 P28472 18/20 0.40
GABRA5 P31644 18/20 0.40
GABRA3 P34903 18/20 0.40
GABRA2 P47869 18/20 0.40
GABRB2 P47870 18/20 0.40
GABRA4 P48169 18/20 0.40
GABRE P78334 18/20 0.40
GABRA6 Q16445 18/20 0.40
GABRG1 Q8N1C3 18/20 0.40
GABRG3 Q99928 18/20 0.40
GABRQ Q9UN88 18/20 0.40
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1572492 0.83 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1128700 0.80 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28223150 0.75 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL41425 0.73 L3MBTL1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28605242 0.72 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29892392 0.66 MAPK1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17548269 0.64 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9924417 0.64 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7670386 0.63 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7667752 0.63 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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-106028808-A Composition comprising dicamba and a drift control agent comprising at least one fatty alcohol 巴斯夫欧洲公司 2016-10-12 CN disclosed