SCHEMBL10650433

SCHEMBL10650433

O=C1CCC(c2ccc(CN3CCCC3)s2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ PDE3B Q13370 4/20 0.37
▸ PDE3A Q14432 4/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ IKBKE Q14164 4/20 0.36
▸ TBK1 Q9UHD2 4/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ LMNA P02545 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
SCHEMBL10648034 0.87 HRH3 (0.50) HRH3TDP1L3MBTL1SMN1; SMN2GPR119
SCHEMBL11119254 0.85 HRH3 (0.54) HRH3SMN1; SMN2GPR119PDE3BPDE3A
SCHEMBL10646470 0.84 HRH3 (0.53) HRH3SMN1; SMN2GPR119
SCHEMBL10650307 0.83 HRH3 (0.52) HRH3SMN1; SMN2GPR119
SCHEMBL10650242 0.83 SMN1; SMN2 (0.41) HRH3MAPTSMN1; SMN2PDE3BPDE3A
SCHEMBL10648684 0.82 SMN1; SMN2 (0.43) MAPTSMN1; SMN2GPR119PDE3BPDE3A
SCHEMBL10646110 0.78 CYP11B1 (0.53) SMN1; SMN2PDE3BPDE3ALMNAPDE4A
SCHEMBL10646023 0.78 SMN1; SMN2 (0.40) ALDH1A1MAPTTDP1SMN1; SMN2GPR119
SCHEMBL10650666 0.76 PDE3B (0.49) MAPTL3MBTL1SMN1; SMN2PDE3BPDE3A
SCHEMBL10730685 0.74 SMN1; SMN2 (0.38) MAPTSMN1; SMN2GPR119PDE3BPDE3A

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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