SCHEMBL11017607

SCHEMBL11017607

O=c1ccc(/C=C/c2ccc(-n3ccnc3)cc2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.60
▸ PDE3A Q14432 7/20 0.60
▸ LMNA P02545 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MAOB P27338 3/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PDE2A O00408 1/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP21A2 P08686 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CRBN Q96SW2 1/20 0.42

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
SCHEMBL11017610 1.00 PDE3B (0.60) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11016212 0.81 PDE3B (0.50) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11016210 0.81 PDE3B (0.50) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11017825 0.78 PDE3B (0.46) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11017821 0.78 PDE3B (0.46) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL10986314 0.77 CYP1A2 (0.72) LMNAKDM4ECYP1A2HPGDNPC1
SCHEMBL7280366 0.75 PDE3B (1.00) PDE3BPDE3ALMNACYP1A2NPC1
SCHEMBL13126938 0.75 CYP3A4 (0.51) PDE3BPDE3ALMNANPC1RAB9A
SCHEMBL2604923 0.74 CYP3A4 (0.69) PDE3BPDE3ALMNAKDM4ESMN1; SMN2
SCHEMBL8392726 0.74 CYP3A4 (0.69) PDE3BPDE3ALMNAKDM4ESMN1; SMN2

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-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
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