SCHEMBL9010480

SCHEMBL9010480

COC(C)C(=O)Nc1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 13/20 0.44
GABRD O14764 13/20 0.44
GABRA1 P14867 13/20 0.44
GABRB1 P18505 13/20 0.44
GABRG2 P18507 13/20 0.44
GABRB3 P28472 13/20 0.44
GABRA5 P31644 13/20 0.44
GABRA3 P34903 13/20 0.44
GABRA2 P47869 13/20 0.44
GABRB2 P47870 13/20 0.44
GABRA4 P48169 13/20 0.44
GABRE P78334 13/20 0.44
GABRA6 Q16445 13/20 0.44
GABRG1 Q8N1C3 13/20 0.44
GABRG3 Q99928 13/20 0.44
GABRQ Q9UN88 13/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NR1I2 O75469 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4513950 0.90 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055759 0.87 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8789594 0.86 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6748566 0.85 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4524214 0.85 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055701 0.85 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055879 0.85 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055866 0.84 GABRB3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055742 0.84 GABRB3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7714908 0.83 GABRB3 (0.45) 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
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US claimed