SCHEMBL7713045

SCHEMBL7713045

NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ALOX12 P18054 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7713306 0.84 CA12 (0.32) CA12CA1CA2CA7CA13
SCHEMBL7713462 0.78 KDM4E (0.31) CA12CA1CA2CA7CA13
SCHEMBL17049362 0.78 GAA (0.37) GAAMAPTXBP1ALOX12ATM
SCHEMBL187613 0.76 CA1 (0.55) CA12CA1CA2CA7CA13
SCHEMBL312355 0.76 SMN1; SMN2 (0.42) GAAMAPTXBP1ALOX12ATM
SCHEMBL19426835 0.74 GAA (0.35) GAAMAPTXBP1ALOX12ATM
SCHEMBL30258370 0.74 GAA (0.35) GAAMAPTXBP1ALOX12ATM
Hydrochloric Acid SCHEMBL4349881 0.74 CA1 (0.52) CA12CA1CA2CA7CA13
Perfluorotoluene SCHEMBL308464 0.73 SMN1; SMN2 (0.41) GAAMAPTXBP1ALOX12ATM
SCHEMBL8059165 0.71 CA1 (0.50) CA12CA1CA2CA7CA13

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 US claimed
EP-0235558-A2 5-Amino-1-phenyl pyrazoles BAYER AG (DE) 1987-09-09 EP claimed
CN-116396291-A Application of 1-amide and 1-hydrazide substituted beta-carboline derivative as agricultural bactericide 南京农业大学 2023-07-07 CN disclosed
EP-3083565-B1 PROCESS FOR THE PREPARATION OF 5-FLUORO-1H-PYRAZOLES BAYER ANIMAL HEALTH GMBH (DE) 2020-12-23 EP disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2013106254-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-07-18 WO disclosed
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US 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
EP-0608713-B1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AG (DE) 1996-12-27 EP disclosed
CN-87100874-A The 5-amino-1-phenyl-pyrazoles 1987-08-19 CN disclosed
WO-1987003781-A1 PESTICIDAL METHOD USING N-PHENYLPYRAZOLES MAY & BAKER LIMITED (GB) 1987-07-02 WO disclosed
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 US disclosed
EP-0084033-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-10-02 EP disclosed
US-4541963-A HERBICIDAL PENYLPYRAZOLE INTERMEDIATES MAY & BAKER LIMITED (GB) 1985-09-17 US disclosed
US-4505740-A Herbicidal 5-amino-4-cyano-1-phenyl-pyrazoles MAY & BAKER LIMITED (GB) 1985-03-19 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed
EP-0084033-A1 N-PHENYLPYRAZOLE DERIVATIVES. MAY & BAKER LTD (GB) 1983-07-27 EP disclosed
WO-1983000331-A1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed