SCHEMBL11489732

SCHEMBL11489732

CC1CC(=O)NN=C1c1ccc(NC(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 17/20 0.64
▸ PDE3A Q14432 17/20 0.64
▸ TNNC1 P63316 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PDE4A P27815 2/20 0.54
▸ PDE4B Q07343 2/20 0.54
▸ PDE4C Q08493 2/20 0.54
▸ PDE4D Q08499 2/20 0.54
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL10353457 0.84 PDE3B (0.71) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL11481877 0.82 PDE3B (0.73) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL28430822 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL5679082 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL5677157 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL6370079 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL9225238 0.82 PDE3B (0.69) PDE3BPDE3ATNNC1KDM4EALDH1A1
SCHEMBL16157198 0.80 PDE3B (0.62) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL16156998 0.80 PDE3B (0.62) PDE3BPDE3ATNNC1PDE4APDE4B
SCHEMBL16157013 0.80 PDE3B (0.66) PDE3BPDE3ATNNC1KDM4EALDH1A1

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-0012338-A1 Dihydropyridazinones, process for their preparation and therapeutical agents containing them BASF Aktiengesellschaft (DE) 1980-06-25 — — EP disclosed
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