SCHEMBL9196282

SCHEMBL9196282

COC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(O)c1SC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 16/20 0.53
GABRP O00591 15/20 0.53
GABRD O14764 15/20 0.53
GABRA1 P14867 15/20 0.53
GABRB1 P18505 15/20 0.53
GABRG2 P18507 15/20 0.53
GABRA5 P31644 15/20 0.53
GABRA3 P34903 15/20 0.53
GABRA2 P47869 15/20 0.53
GABRB2 P47870 15/20 0.53
GABRA4 P48169 15/20 0.53
GABRE P78334 15/20 0.53
GABRA6 Q16445 15/20 0.53
GABRG1 Q8N1C3 15/20 0.53
GABRG3 Q99928 15/20 0.53
GABRQ Q9UN88 15/20 0.53
BACE1 P56817 1/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL9193470 0.92 GABRB3 (0.52) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9192998 0.88 GABRB3 (0.54) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9197601 0.84 GABRB3 (0.48) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9196265 0.81 GABRP (0.53) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL4726875 0.77 GABRA2 (0.49) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9704854 0.77 GABRB3 (0.52) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9194007 0.77 GABRP (0.49) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL4782011 0.77 GABRB3 (0.41) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7711355 0.77 GABRP (0.64) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL5993802 0.75 GABRP (0.49) GABRB3GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385809-B1 Pesticidal 3-cyano-5-alkoxy-1-arylpyrazoles RHONE POULENC AGROCHIMIE (FR) 1995-07-05 EP disclosed
US-5079370-A 1-arylpyrazoles RHONE-POULENC AG COMPANY (US) 1992-01-07 US disclosed
US-5047550-A Pesticides RHONE-POULENC AG CO. (US) 1991-09-10 US disclosed
EP-0385809-A1 Pesticidal 3-cyano-5-alkoxy-1-arylpyrazoles RHONE-POULENC AGROCHIMIE (FR) 1990-09-05 EP disclosed
US-4918085-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, AND ANTIPROTOZOA AGENTS RHONE-POULENC AG COMPANY (US) 1990-04-17 US disclosed