SCHEMBL8024883

SCHEMBL8024883

N#Cc1nn(-c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(N)c1SC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43
GABRG3 Q99928 5/20 0.43
GABRQ Q9UN88 5/20 0.43
LMNA P02545 4/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR1I2 O75469 1/20 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
SCHEMBL15406 0.81 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055680 0.81 GABRB3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL923024 0.78 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2836959 0.77 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12315444 0.77 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055781 0.76 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL921348 0.74 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055912 0.74 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL922112 0.74 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL921049 0.74 GABRP (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738713-B1 Process for the preparation of pesticidal 1-(chloroaryl)heterocyclic compounds RHONE POULENC AGROCHIMIE (FR) 2000-02-09 EP disclosed
US-5726324-A 1-(nitroaryl)pyrrole intermediates to pesticidal 1-(haloaryl)pyrroles RHONE-POULENC INC. (US) 1998-03-10 US disclosed
US-5631381-A Process for the preparation of pesticidal 1-(haloaryl) heterocyclic compounds RHONE-POULENC INC. (US) 1997-05-20 US disclosed
EP-0738713-A1 Process for the preparation of pesticidal 1-(haloaryl)heterocyclic compounds RHONE-POULENC AGROCHIMIE (FR) 1996-10-23 EP disclosed