SCHEMBL10649836

SCHEMBL10649836

CCN(CC)CCn1nc(-c2cc(-n3ccnc3)cs2)c(C)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ UHRF1 Q96T88 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ ADH5 P11766 1/20 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
SCHEMBL10646469 0.83 POLB (0.35) PDE3BPDE3ANPC1MITFPOLB
SCHEMBL10649130 0.71 PDE3B (0.65) PDE3BPDE3AADH5PDE4APDE4B
SCHEMBL11102889 0.68 PDE3B (0.38) PDE3BPDE3APSEN1PSEN2APH1B
SCHEMBL10363623 0.65 PDE4A (0.44) PDE3BPDE3AADH5PDE4APDE4B
SCHEMBL10648069 0.64 CYP1A2 (0.41) PDE3BPDE3APOLB
SCHEMBL10648603 0.64 PDE3B (0.46) PDE3BPDE3AADH5PDE4APDE4B
SCHEMBL10365557 0.64 PDE3B (0.47) PDE3BPDE3AADH5PDE4APDE4B
SCHEMBL10364553 0.64 PDE3B (0.44) PDE3BPDE3AADH5PDE4APDE4B
SCHEMBL10365667 0.64 PDE4A (0.38) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11116627 0.64 CYP1A2 (0.41) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
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