SCHEMBL4979425

SCHEMBL4979425

C=C(C(=O)O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1/N=C/N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 14/20 0.42
GABRD O14764 14/20 0.42
GABRA1 P14867 14/20 0.42
GABRB1 P18505 14/20 0.42
GABRG2 P18507 14/20 0.42
GABRB3 P28472 14/20 0.42
GABRA5 P31644 14/20 0.42
GABRA3 P34903 14/20 0.42
GABRA2 P47869 14/20 0.42
GABRB2 P47870 14/20 0.42
GABRA4 P48169 14/20 0.42
GABRE P78334 14/20 0.42
GABRA6 Q16445 14/20 0.42
GABRG1 Q8N1C3 14/20 0.42
GABRG3 Q99928 14/20 0.42
GABRQ Q9UN88 14/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4979428 1.00 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3112325 0.91 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3112330 0.91 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752588 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752589 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752568 0.90 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752569 0.90 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2001599 0.89 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2001600 0.89 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2006740 0.89 GABRP (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 WO disclosed