SCHEMBL8923639

SCHEMBL8923639

O=C1CCC=NN1c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CHRNA7 P36544 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7490265 0.83 CHRNA7 (0.31) NR1I2ALDH1A1CHRNA7POLB
SCHEMBL8924477 0.72 CYP2D6 (0.32)
SCHEMBL27464474 0.69 NR1I2 (0.39) NR1I2KDM4EALDH1A1CHRNA7POLB
SCHEMBL8924535 0.68 GSK3B (0.30)
SCHEMBL8496732 0.66 CHRNA7 (0.42) NR1I2GAACHRNA7PDE4APDE4B
SCHEMBL28581938 0.66 NR1I2 (0.44) NR1I2GAAKDM4EALDH1A1CHRNA7
SCHEMBL9379275 0.66 POLB (0.30) POLB
SCHEMBL8923397 0.66 MEN1 (0.33) GAA
SCHEMBL5997170 0.64 MGLL (0.45) GAAALDH1A1
SCHEMBL5605046 0.63 HPGD (0.46) NR1I2GAAALDH1A1CHRNA7PDE4A

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
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 WO disclosed