SCHEMBL8087086

SCHEMBL8087086

O=C(Nc1ccccc1)C1CCCC[N]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
POLB P06746 2/20 0.57
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
EPHX2 P34913 2/20 0.47
EPHX1 P07099 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
ATM Q13315 1/20 0.44
GLA P06280 1/20 0.44
HTR1E P28566 1/20 0.44
S1PR3 Q99500 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNK3 O14649 1/20 0.43

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
SCHEMBL7293005 0.95 HPGD (0.56) HPGDPOLBGAAMAPTMEN1
SCHEMBL6002783 0.79 JAK3 (0.47) HPGDPOLBGAAMAPTMEN1
SCHEMBL105931 0.75 MAPT (0.78) HPGDPOLBGAAMAPTMEN1
SCHEMBL4668488 0.75 HPGD (0.96) HPGDPOLBGAAMAPTMEN1
SCHEMBL10337750 0.75 MAPT (0.78) HPGDPOLBGAAMAPTMEN1
SCHEMBL11860109 0.75 JAK3 (0.46) HPGDPOLBGAAMAPTMEN1
SCHEMBL7285631 0.75 HPGD (0.44) HPGDPOLBGAAMAPTMEN1
SCHEMBL1624945 0.75 MCL1 (0.49) POLBMAPTRAB9AEPHX1ALDH1A1
SCHEMBL1300190 0.74 HPGD (1.00) HPGDPOLBGAAMAPTMEN1
SCHEMBL19703413 0.74 HPGD (1.00) HPGDPOLBGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed