SCHEMBL15850367

SCHEMBL15850367

COC(=O)c1cc2cc(OC)c(OCN=[N+]=[N-])cc2c(-c2ccnc(Br)c2)c1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 15/20 0.59
PDE1B Q01064 15/20 0.59
PDE1C Q14123 15/20 0.59
PDE3B Q13370 6/20 0.45
PDE3A Q14432 6/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL983806 0.88 PDE1A (0.68) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746112 0.86 PDE1A (0.65) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL16690970 0.81 PDE1A (0.60) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746183 0.78 PDE1A (0.61) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL13668874 0.77 PDE1A (0.55) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL12350277 0.77 PDE1A (0.56) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7747219 0.76 PDE1A (0.54) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7746173 0.76 PDE1A (0.55) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7742053 0.75 PDE1A (0.51) PDE1APDE1BPDE1CPDE3BPDE3A
SCHEMBL7749376 0.75 PDE1A (0.51) PDE1APDE1BPDE1CPDE3BPDE3A

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
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP disclosed