SCHEMBL7669291

SCHEMBL7669291

CC(=O)c1cc(-c2nn3c(c2Cl)CCCC3)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
POLB P06746 1/20 0.36
RORC P51449 5/20 0.35
PPARG P37231 3/20 0.35
TSHR P16473 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
MELK Q14680 2/20 0.34
NTRK1 P04629 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7674234 0.85 KDM4E (0.39) HPGDPOLBSMN1; SMN2
SCHEMBL6278159 0.82 RORC (0.37) HPGDRORCPPARGPDE4APDE4B
SCHEMBL8895167 0.74 SIGMAR1 (0.42) RORCPPARGPDE4APDE4BPDE4C
SCHEMBL6283083 0.73 TGFBR1 (0.34) HPGDRORCPPARG
SCHEMBL7675340 0.72 PPOX (0.32) RORCPPARG
SCHEMBL7674938 0.72 PPOX (0.44)
SCHEMBL6839415 0.72 PGK1 (0.33) RORCPPARG
SCHEMBL9385152 0.68 EGFR (0.34)
SCHEMBL9287102 0.68 MAPK1 (0.33)
SCHEMBL8432458 0.67 MAPK1 (0.34) HPGDPOLBTSHRSMN1; SMN2

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
US-6358885-B1 PREEMERGENT OR POSTEMERGENT HERBICIDES OR PLANT GROWTH REGULANTS MISSISSIPPI STATE UNIVERSITY 2002-03-19 US disclosed
US-5977028-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
EP-0626962-B1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES DU PONT (US) 1999-03-17 EP disclosed
US-5670455-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-23 US disclosed
EP-0626962-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-07 EP disclosed