SCHEMBL6553906

SCHEMBL6553906

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCc2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 7/20 0.43
GABRB2 P47870 7/20 0.43
GABRP O00591 6/20 0.43
GABRD O14764 6/20 0.43
GABRA1 P14867 6/20 0.43
GABRB1 P18505 6/20 0.43
GABRG2 P18507 6/20 0.43
GABRB3 P28472 6/20 0.43
GABRA5 P31644 6/20 0.43
GABRA3 P34903 6/20 0.43
GABRA4 P48169 6/20 0.43
GABRE P78334 6/20 0.43
GABRA6 Q16445 6/20 0.43
GABRG1 Q8N1C3 6/20 0.43
GABRG3 Q99928 6/20 0.43
GABRQ Q9UN88 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 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
SCHEMBL6055646 0.83 GABRB3 (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055648 0.82 GABRB3 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9059737 0.81 GABRB3 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL1752311 0.81 GABRA2 (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055894 0.80 GABRB3 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL4974347 0.80 GABRP (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL1750451 0.80 GABRP (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL13840591 0.79 GABRA2 (0.40) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL11914603 0.78 GABRB3 (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055773 0.77 GABRP (0.62) GABRA2GABRB2GABRPGABRDGABRA1

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-0918756-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2004-02-25 EP claimed
US-6028096-A Parasiticidal pyrazoles PFIZER INC (US) 2000-02-22 US claimed
EP-0918756-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2004-02-25 EP disclosed
US-6028096-A Parasiticidal pyrazoles PFIZER INC (US) 2000-02-22 US disclosed