SCHEMBL10727551

SCHEMBL10727551

CN1N=C(c2ccc(-n3ccnc3)s2)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.36
▸ PDE3A Q14432 5/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ RECQL P46063 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
SCHEMBL11021347 0.78 RAB9A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11021355 0.78 RAB9A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10724389 0.77 CYP11B1 (0.52) CYP3A4CYP1A2CYP2D6MAPK1CYP11B1
SCHEMBL10730489 0.77 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10648314 0.76 PDE3B (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280036 0.75 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11101902 0.73 CYP3A4 (0.33) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10651787 0.70 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10365668 0.69 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL28061806 0.69 CYP3A4 (0.50) CYP3A4LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP disclosed
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
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