SCHEMBL9780227

SCHEMBL9780227

COC(=O)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL10578496 0.91 GAA (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7710638 0.86 GABRA2 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055882 0.77 GABRA2 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6055878 0.77 GABRA2 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9780180 0.76 GABRA2 (0.53) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9780153 0.76 GABRA2 (0.48) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704083 0.75 GABRA2 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704010 0.75 GABRA2 (0.52) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9703392 0.74 GABRA2 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10701561 0.74 GABRA2 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868198-A ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US claimed
US-5055482-A Anthelmintic, antiprotozoa, netatocides, pesticides MAY & BAKER LTD. (GB) 1991-10-08 US disclosed
EP-0350311-A1 N-phenylpyrazol-4-yl ether derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1990-01-10 EP disclosed