SCHEMBL7276392

SCHEMBL7276392

O=C1CC(CO)C(c2ccc(Cl)c([N+](=O)[O-])c2)=NN1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GALR3 O60755 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 1/20 0.52
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SLFN12 Q8IYM2 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR119 Q8TDV5 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRK6 P43250 1/20 0.38
DHFR P00374 1/20 0.37
VCAM1 P19320 1/20 0.37

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
SCHEMBL10333497 0.89 PDE3B (0.55) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL2015885 0.82 GALR3 (0.74) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7267599 0.82 MAPT (0.48) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL10704549 0.80 PDE3B (0.51) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL10962981 0.79 MAPT (0.46) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7268573 0.79 MAPT (0.65) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL10704095 0.79 PDE3B (0.51) MAPTGALR3THRBPDE3BPDE3A
SCHEMBL11013347 0.78 PDE3B (0.45) MAPTSMN1; SMN2PDE3BPDE3AGAA
SCHEMBL7273714 0.75 MAPT (0.56) MAPTGALR3SMN1; SMN2THRBPDE3B
SCHEMBL7352543 0.75 MAPT (0.73) MAPTGALR3SMN1; SMN2THRBPDE3B

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
EP-0327800-B1 6-PHENYLDIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS HEUMANN PHARMA GMBH & CO (DE) 1992-05-27 EP disclosed
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US disclosed
EP-0327800-A2 6-Phenyldihydro-3(2H)-pyridazinones, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-08-16 EP disclosed