SCHEMBL7344155

SCHEMBL7344155

O=C1NN=C(c2ccc(Nc3ccncc3)cc2)CS1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
PDE3B Q13370 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PDE3A Q14432 2/20 0.42
DYRK1A Q13627 3/20 0.39
RAD52 P43351 1/20 0.38
MAPT P10636 9/20 0.37
ALDH1A1 P00352 8/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 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
SCHEMBL7265442 0.86 PDE3B (0.45) KCNH2PDE3BPDE4APDE4BPDE4C
SCHEMBL9780099 0.80 KCNH2 (0.42) KCNH2PDE3BPDE4APDE4BPDE4C
Senazodan SCHEMBL1652002 0.77 KCNH2 (1.00) KCNH2PDE3BPDE4APDE4BPDE4C
SCHEMBL10814165 0.76 PDE4A (0.46) PDE3BPDE4APDE4BPDE4CPDE4D
Senazodan SCHEMBL4519202 0.75 KCNH2 (0.97) KCNH2PDE3BPDE4APDE4BPDE4C
Senazodan SCHEMBL1649599 0.75 KCNH2 (0.97) KCNH2PDE3BPDE4APDE4BPDE4C
SCHEMBL260120 0.75 NPC1 (0.56) PDE3BPDE4APDE4BPDE4CPDE4D
SCHEMBL7346817 0.75 PDE3B (0.47) PDE3BPDE4APDE4BPDE4CPDE4D
SCHEMBL1325249 0.75 AXL (0.55) PDE3BPDE4APDE4BPDE4CPDE4D
Senazodan SCHEMBL4526209 0.74 KCNH2 (0.94) KCNH2PDE3BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8012672-A None JP disclosed
US-5567699-A CARDIOTONIC AGENT MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-22 US disclosed
JP-H0812672-A THIADIAZINONE DERIVATIVE MITSUBISHI CHEM CORP 1996-01-16 JP disclosed
EP-0679651-A2 Thiadiazinone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-02 EP disclosed