SCHEMBL10655094

SCHEMBL10655094

Cn1c(C2=N[NH+]([O-])CCC2)cnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ HPGDS O60760 1/20 0.48
▸ LDLR P01130 1/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.39
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GAA P10253 2/20 0.34
▸ COMT P21964 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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
SCHEMBL6771577 0.75 CHRNB4 (0.46) CYP1A2GAAALDH1A1TDP1LMNA
SCHEMBL822807 0.72 HPGDS (0.77) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL10655088 0.72 PDE3B (0.54) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL10655098 0.69 PDE3B (0.51) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL10651088 0.68 PDE3B (1.00) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL2365544 0.65 HPGDS (1.00) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL27216943 0.64 HPGDS (0.54) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL8453399 0.63 HPGDS (0.58) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL24418677 0.63 HPGDS (0.62) PDE3BPDE3AHPGDSLDLRPCSK9
SCHEMBL2835874 0.63 HPGDS (0.67) PDE3BPDE3AHPGDSLDLRPCSK9

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-0125749-B1 IMIDAZOLYL-PYRIDAZINONES WARNER-LAMBERT COMPANY (US) 1988-10-05 — — EP disclosed
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