SCHEMBL8535337

SCHEMBL8535337

O=CNN=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.40
ENPP3 O14638 4/20 0.40
ENPP2 Q13822 3/20 0.40
PPARG P37231 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CXCR2 P25025 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.35
NFE2L2 Q16236 1/20 0.34
LMNA P02545 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL10974941 1.00 ENPP1 (0.40) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL10967961 0.84 NFE2L2 (0.41) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL11097430 0.84 NFE2L2 (0.41) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL8539695 0.84 ENPP1 (0.41) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL9176162 0.83 ENPP1 (0.35) ENPP1ENPP3ENPP2PPARGCXCR2
SCHEMBL7104414 0.81 ENPP1 (0.41) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL10973313 0.81 MEN1 (0.42) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL9079609 0.81 MEN1 (0.42) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL7104412 0.81 ENPP1 (0.41) ENPP1ENPP3ENPP2PPARGCA1
SCHEMBL8533900 0.81 CA1 (0.46) ENPP1ENPP3ENPP2PPARGCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190844-B1 BAITS SCHERING AGROCHEMICALS LIMITED (GB) 1991-10-23 EP claimed
EP-0190844-A2 Baits SCHERING AGROCHEMICALS LIMITED (GB) 1986-08-13 EP claimed
EP-0026040-B1 SUBSTITUTED BENZOPHENONE HYDRAZONES, PESTICIDAL COMPOSITIONS CONTAINING THEM AND METHOD OF COMBATING PESTS FBC LIMITED (GB) 1985-03-13 EP claimed
EP-0662472-B1 Hydrazone derivates as pesticides CIBA GEIGY AG (CH) 1998-03-11 EP disclosed
EP-0662472-A1 Hydrazone derivates as pesticides CIBA-GEIGY AG (CH) 1995-07-12 EP disclosed
EP-0190844-B1 BAITS SCHERING AGROCHEMICALS LIMITED (GB) 1991-10-23 EP disclosed
EP-0190844-A2 Baits SCHERING AGROCHEMICALS LIMITED (GB) 1986-08-13 EP disclosed