SCHEMBL10333380

SCHEMBL10333380

CCN(Cc1ccccc1)c1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-]

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.82
PDE3A Q14432 9/20 0.82
MAPT P10636 4/20 0.82
ALDH1A1 P00352 2/20 0.82
SLFN12 Q8IYM2 1/20 0.82
LMNA P02545 1/20 0.82
MAPK1 P28482 1/20 0.82
GALR3 O60755 3/20 0.67
GAA P10253 1/20 0.67
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
GPR119 Q8TDV5 4/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL10699653 0.95 PDE3B (0.76) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL29491026 0.90 PDE3B (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL16156971 0.90 PDE3B (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL16156956 0.90 PDE3B (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL29609389 0.90 PDE3B (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL29491012 0.90 PDE3B (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL10333846 0.89 GALR3 (0.73) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL10333665 0.81 GALR3 (1.00) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL17446945 0.79 MAPT (0.79) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL17446927 0.79 MAPT (0.79) PDE3BPDE3AMAPTALDH1A1SLFN12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US disclosed
EP-0279283-A2 Pyridazinone derivatives MERCK PATENT GmbH (DE) 1988-08-24 EP disclosed