SCHEMBL9857079

SCHEMBL9857079

COC(=O)C(C)Sc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL9857029 0.92 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL9856780 0.92 PPOX (0.34) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9856906 0.83 PPOX (0.35) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9857297 0.82 PPOX (0.36) ALDH1A1KDM4E
SCHEMBL9856930 0.81 GAA (0.35) HPGD
SCHEMBL9857115 0.80 LMNA (0.35) HPGD
SCHEMBL4067916 0.78 NTRK1 (0.35)
SCHEMBL7974134 0.78 NTRK1 (0.33)
SCHEMBL7960698 0.78 NTRK1 (0.36)
SCHEMBL4156778 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443059-A1 3-(Substituted phenyl)pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO., LTD. (JP) 1991-08-28 EP claimed
US-5032165-A 3-(substituted phenyl)pyrazole derivatives, salts thereof, and herbicides therefrom NIHON NOHYAKU COMPANY, LTD. (JP) 1991-07-16 US claimed
EP-0361114-A1 3-(Substituted phenyl) pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO., LTD. (JP) 1990-04-04 EP claimed