SCHEMBL7290161

SCHEMBL7290161

C[S+]([O-])c1nccn1-c1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.50
▸ PDE3A Q14432 6/20 0.50
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ HRH3 Q9Y5N1 7/20 0.37
▸ ADH5 P11766 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL7280249 0.81 LMNA (0.56) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280283 0.78 PDE3B (0.52) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7290958 0.77 PDE3B (0.51) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7290613 0.75 CYP1A2 (0.59) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7290985 0.71 PDE3B (0.69) PDE3BPDE3ALMNAKMT2ACYP1A2
SCHEMBL3452908 0.70 LMNA (0.80) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7279874 0.68 PDE3A (0.68) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7319085 0.67 PDE3B (0.67) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280366 0.67 PDE3B (1.00) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL7280364 0.67 PDE3B (0.48) PDE3BPDE3ALMNAMEN1KMT2A

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
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US claimed
EP-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 — — US disclosed
Send feedback