SCHEMBL8548621

SCHEMBL8548621

COc1nn(C)c(=O)n1-c1ccccc1Oc1cncc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.42
CYP11B2 P19099 1/20 0.36
TACR3 P29371 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PPARA Q07869 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
BCAT1 P54687 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL8814897 0.79 SMN1; SMN2 (0.34) NTRK1
SCHEMBL8809898 0.73 F2RL3 (0.42) JAK2JAK3F2RL3
SCHEMBL8595340 0.72 RORB (0.34) JAK2JAK3PPARAF2RL3ABCB1
SCHEMBL8554490 0.70 RORB (0.41) JAK2JAK3F2RL3
SCHEMBL8813700 0.69 RORB (0.40) JAK2JAK3F2RL3
SCHEMBL5003435 0.66 TACR3 (0.55) TACR3
SCHEMBL8524457 0.65 SMN1; SMN2 (0.34)
SCHEMBL8310227 0.64 BRD4 (0.40) NTRK1
SCHEMBL8550685 0.64 PSEN1 (0.36)
SCHEMBL8002388 0.64 RXFP1 (0.42)

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
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO disclosed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP disclosed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO disclosed