SCHEMBL9010458

SCHEMBL9010458

COCCOCCOCC(=O)Nc1c([S+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 10/20 0.38
GABRP O00591 9/20 0.38
GABRD O14764 9/20 0.38
GABRA1 P14867 9/20 0.38
GABRB1 P18505 9/20 0.38
GABRG2 P18507 9/20 0.38
GABRA5 P31644 9/20 0.38
GABRA3 P34903 9/20 0.38
GABRA2 P47869 9/20 0.38
GABRB2 P47870 9/20 0.38
GABRA4 P48169 9/20 0.38
GABRE P78334 9/20 0.38
GABRA6 Q16445 9/20 0.38
GABRG1 Q8N1C3 9/20 0.38
GABRG3 Q99928 9/20 0.38
GABRQ Q9UN88 9/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2770596 0.90 GABRB3 (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL28345400 0.86 GABRB3 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9010449 0.85 GABRB3 (0.39) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9010514 0.83 GABRB3 (0.38) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL3970589 0.83 GABRB3 (0.45) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL28913303 0.80 GABRP (0.41) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL711103 0.78 GABRB3 (0.46) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL2773006 0.77 GABRB3 (0.39) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL5370578 0.77 GABRB3 (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9010645 0.77 GABRB3 (0.43) GABRB3GABRPGABRDGABRA1GABRB1

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
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US claimed