SCHEMBL11120072

SCHEMBL11120072

CC1CC(=O)NN=C1c1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.62
▸ PDE3A Q14432 12/20 0.62
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GALR3 O60755 3/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TNNC1 P63316 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ SLFN12 Q8IYM2 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL11159409 0.86 PDE3B (0.67) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11164631 0.86 PDE3B (0.67) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11161927 0.86 PDE3B (0.76) PDE3BPDE3AMAPTSMN1; SMN2GALR3
SCHEMBL11176102 0.86 PDE3B (0.72) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11159048 0.83 PDE3B (0.63) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11167091 0.82 PDE3B (0.60) PDE3BPDE3AMAPTSMN1; SMN2GALR3
SCHEMBL11160996 0.81 PDE3B (0.78) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11164767 0.80 PDE3B (0.58) PDE3BPDE3AMAPTSMN1; SMN2GALR3
SCHEMBL11160053 0.79 PDE3B (0.63) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11169119 0.79 PDE3B (0.63) PDE3BPDE3AMAPTSMN1; SMN2ALDH1A1

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-0042513-B1 DIHYDROPYRIDAZINONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1984-08-08 — — EP disclosed
US-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 — — US disclosed
EP-0042513-A1 Dihydropyridazinones, processes for their preparation and pharmaceutical compositions containing these compounds BASF Aktiengesellschaft (DE) 1981-12-30 — — EP disclosed
Send feedback