SCHEMBL5201997

SCHEMBL5201997

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c([AsH2])c1[S+]([O-])C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.49
GABRA2 P47869 18/20 0.49
GABRB2 P47870 18/20 0.49
GABRP O00591 16/20 0.49
GABRD O14764 16/20 0.49
GABRA1 P14867 16/20 0.49
GABRB1 P18505 16/20 0.49
GABRG2 P18507 16/20 0.49
GABRA5 P31644 16/20 0.49
GABRA3 P34903 16/20 0.49
GABRA4 P48169 16/20 0.49
GABRE P78334 16/20 0.49
GABRA6 Q16445 16/20 0.49
GABRG1 Q8N1C3 16/20 0.49
GABRG3 Q99928 16/20 0.49
GABRQ Q9UN88 16/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6055883 0.89 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4669520 0.87 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2835106 0.87 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL2469515 0.87 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL29397350 0.87 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL15088 0.87 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL44222 0.87 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055919 0.87 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL7171206 0.87 GABRP (0.59) GABRB3GABRA2GABRB2GABRPGABRD
Fipronil SCHEMBL3351877 0.86 GABRP (0.58) GABRB3GABRA2GABRB2GABRPGABRD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968578-A2 POLYMORPHS AND AMORPHOUS FORMS OF 5-AMINO-l-[2,6- DICHLORO-4-(TRIFLUOROMETHYL)PHENYL]-4- [(TRIFLUOROMETHYL)SULFINYL]-IH-PYRAZOLE-3-CARBONITRILE MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 2008-09-17 EP disclosed
WO-2007069254-A2 POLYMORPHS AND AMORPHOUS FORMS OF 5-AMINO-l-[2,6- DICHLORO-4-(TRIFLUOROMETHYL)PHENYL]-4- [(TRIFLUOROMETHYL)SULFINYL]-IH-PYRAZOLE-3-CARBONITRILE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2007-06-21 WO disclosed