SCHEMBL7713015

SCHEMBL7713015

N#Cc1cc(N)n(-c2c(Br)cc(C(F)(F)F)cc2Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 10/20 0.41
GABRP O00591 9/20 0.41
GABRD O14764 9/20 0.41
GABRA1 P14867 9/20 0.41
GABRB1 P18505 9/20 0.41
GABRG2 P18507 9/20 0.41
GABRA5 P31644 9/20 0.41
GABRA3 P34903 9/20 0.41
GABRA2 P47869 9/20 0.41
GABRB2 P47870 9/20 0.41
GABRA4 P48169 9/20 0.41
GABRE P78334 9/20 0.41
GABRA6 Q16445 9/20 0.41
GABRG1 Q8N1C3 9/20 0.41
GABRG3 Q99928 9/20 0.41
GABRQ Q9UN88 9/20 0.41
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7028502 0.91 GABRB3 (0.51) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL1997629 0.84 GABRP (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7713226 0.83 ALDH1A1 (0.36) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL239495 0.82 GABRB3 (0.60) GABRB3GABRPGABRDGABRA1GABRB1
Ammonia Solution, Strong SCHEMBL8425567 0.81 GABRB3 (0.59) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL2835184 0.78 GABRA2 (0.52) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL14615157 0.78 GABRB3 (0.55) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL28393672 0.78 NPY5R (0.41) GABRB3GABRPGABRDGABRA1GABRB1
Sulfurous Acid SCHEMBL28641882 0.76 GABRA2 (0.57) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL10616201 0.74 KDM4E (0.47) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
EP-0967206-A1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE LTD. (GB) 1999-12-29 EP disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0418016-B1 N-phenylpyrazole derivatives as insecticides RHONE POULENC AGRICULTURE (GB) 1995-05-03 EP disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
EP-0418016-A1 N-phenylpyrazole derivatives as insecticides RHONE-POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP disclosed