SCHEMBL8539200

SCHEMBL8539200

Clc1nc(NCc2ccc3c(c2)OCO3)c2cc(-n3cccn3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
CLK4 Q9HAZ1 5/20 0.47
PDE2A O00408 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP1 O94782 1/20 0.46

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
SCHEMBL8543991 0.83 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7416234 0.82 PDE4A (0.54) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8542982 0.81 PDE4A (0.72) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4924574 0.81 PDE5A (0.72) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3114782 0.80 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7420737 0.77 PDE5A (0.54) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7492759 0.77 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7491208 0.77 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7417477 0.77 PDE4A (0.58) PDE5AMEN1KMT2AALDH1A1MAPT
SCHEMBL5117435 0.75 MAPT (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7010843-A None JP disclosed
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
JP-H0710843-A NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND EISAI CO LTD 1995-01-13 JP disclosed
JP-H00710843-A 0001-01-01 JP disclosed