SCHEMBL7474381

SCHEMBL7474381

Fc1cc2ncnc(NCCCc3ccc4c(c3)OCO4)c2cc1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CLK1 P49759 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL7467527 0.93 PDE5A (0.64) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7471052 0.86 PDE5A (0.82) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7469507 0.85 PDE5A (0.50) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7470174 0.81 HTT (0.57) MEN1KMT2ASMN1; SMN2
SCHEMBL7469278 0.80 PDE5A (0.70) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7461202 0.80 PDE5A (0.53) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7470372 0.79 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16997374 0.77 PDE5A (0.78) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7499068 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11852402 0.76 PDE5A (0.64) PDE5AMEN1KMT2AALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO disclosed