SCHEMBL9196265

SCHEMBL9196265

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 17/20 0.53
GABRD O14764 17/20 0.53
GABRA1 P14867 17/20 0.53
GABRB1 P18505 17/20 0.53
GABRG2 P18507 17/20 0.53
GABRB3 P28472 17/20 0.53
GABRA5 P31644 17/20 0.53
GABRA3 P34903 17/20 0.53
GABRA2 P47869 17/20 0.53
GABRB2 P47870 17/20 0.53
GABRA4 P48169 17/20 0.53
GABRE P78334 17/20 0.53
GABRA6 Q16445 17/20 0.53
GABRG1 Q8N1C3 17/20 0.53
GABRG3 Q99928 17/20 0.53
GABRQ Q9UN88 17/20 0.53
BACE1 P56817 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9192998 0.93 GABRB3 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9193470 0.88 GABRB3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9197601 0.82 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9194007 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9196282 0.81 GABRB3 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9193483 0.78 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704854 0.73 GABRB3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704834 0.73 GABRB3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2834331 0.73 GABRB3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9192680 0.73 GABRB3 (0.49) 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 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