SCHEMBL8923397

SCHEMBL8923397

C1=NN(c2cccs2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
PRCP P42785 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.32
ABCB11 O95342 1/20 0.30
CHRM2 P08172 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
PKM P14618 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
SCHEMBL8921941 0.70 POLB (0.33)
SCHEMBL2048093 0.66
SCHEMBL3053970 0.66 GAA (0.42) MEN1PRCPKMT2ASIGMAR1GAA
SCHEMBL8923639 0.66 NR1I2 (0.33) GAA
SCHEMBL7275358 0.66 GAA (0.33) MEN1PRCPKMT2ASIGMAR1GAA
SCHEMBL2635747 0.65
SCHEMBL8181923 0.65 NPC1 (0.44) MEN1PRCPKMT2ASIGMAR1GAA
SCHEMBL29181 0.65 NPC1 (0.44) MEN1PRCPKMT2ASIGMAR1GAA
SCHEMBL6515952 0.64 CHRNA7 (0.31) PKM
SCHEMBL8204298 0.63 PKM (0.34) MEN1PRCPKMT2ASIGMAR1GAA

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