SCHEMBL10646023

SCHEMBL10646023

O=C1CCC(c2ccc(Cn3cccn3)s2)=NN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PDE3B Q13370 11/20 0.37
▸ PDE3A Q14432 11/20 0.37
▸ LMNA P02545 3/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE2A O00408 2/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 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
SCHEMBL10648684 0.85 SMN1; SMN2 (0.43) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10650242 0.79 SMN1; SMN2 (0.41) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10646110 0.79 CYP11B1 (0.53) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10650433 0.78 HRH3 (0.46) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10724269 0.77 PDE3B (0.42) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10650666 0.77 PDE3B (0.49) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10727098 0.76 PDE3B (0.39) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10646442 0.72 PDE3B (0.46) SMN1; SMN2PDE3BPDE3ALMNAPDE4B
SCHEMBL10647923 0.72 CYP1A2 (0.38) PDE3BPDE3ALMNACYP1A2PDE5A
SCHEMBL10730685 0.71 SMN1; SMN2 (0.38) SMN1; SMN2PDE3BPDE3ALMNAPDE4B

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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