SCHEMBL8620057

SCHEMBL8620057

O=[N+]([O-])c1ccc2c(NCc3ccc4c(c3)OOC4)nnc(Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.71
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
EGFR P00533 4/20 0.37
IGF1R P08069 3/20 0.36
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL7911677 0.83 PDE5A (1.00) PDE5AMAPTKMT2AMEN1CRHBP
SCHEMBL6594403 0.79 PDE5A (1.00) PDE5AMAPTKMT2AMEN1CRHBP
SCHEMBL7914801 0.77 PDE5A (0.55) PDE5A
SCHEMBL7918154 0.75 PDE5A (0.92) PDE5A
SCHEMBL7914747 0.74 PDE5A (0.55) PDE5AMAPTKMT2A
SCHEMBL7262122 0.73 MAPT (0.41) PDE5AMAPTKMT2AMEN1CRHBP
SCHEMBL6597241 0.71 PDE5A (1.00) PDE5A
SCHEMBL5598718 0.71 PDE4A (0.57) PDE5A
SCHEMBL1091355 0.68 HSD17B10 (0.52) PDE5AMAPTKMT2AMEN1
SCHEMBL29595163 0.68 HSD17B10 (0.52) PDE5AMAPTKMT2AMEN1

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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed