SCHEMBL14780888

SCHEMBL14780888

CC(C)(C)OC(=O)Nc1cc(C2=NOC(c3cc(CI)cc(CI)c3)(C(F)(F)F)C2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP17A1 P05093 2/20 0.33
CDK9 P50750 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
F10 P00742 2/20 0.31
F2 P00734 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 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
SCHEMBL10039214 0.89 HSP90AA1 (0.34) PDE3BPDE3ACYP17A1AAK1F10
SCHEMBL16384771 0.88 CYP17A1 (0.34) PDE3BPDE3ACYP17A1CDK9AAK1
SCHEMBL10132744 0.87 PDK1 (0.34) PDE3BPDE3ACYP17A1AAK1F10
SCHEMBL10144373 0.86 PDK1 (0.35) PDE3BPDE3ACYP17A1AAK1F10
SCHEMBL14780877 0.82
SCHEMBL1547842 0.81 CA1 (0.35) F10F2PDK1PDK2PDK3
SCHEMBL14780876 0.80 KDM4E (0.30)
SCHEMBL10039281 0.77 RAB9A (0.40) F10F2PDK1PDK2PDK3
SCHEMBL2516410 0.76 PDE3B (0.36) PDE3BPDE3A
SCHEMBL6241193 0.76 DRD2 (0.36) CYP17A1F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399498-B2 Animal ectoparasite-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-19 US disclosed