SCHEMBL5193328

SCHEMBL5193328

CCOc1ccc(CN2CCN(Cc3cccnc3)CC2CC(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 4/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5195325 0.91 SIGMAR1 (0.59) KMT2AMEN1SIGMAR1POLBRAB9A
SCHEMBL5190894 0.82 LMNA (0.53) L3MBTL1KMT2AGAASIGMAR1POLB
SCHEMBL10681973 0.77 SIGMAR1 (0.55) KMT2AMEN1GAASIGMAR1POLB
SCHEMBL5192044 0.75 KDM4E (0.48) L3MBTL1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL5192328 0.74 TDP1 (0.52) KMT2AMEN1SIGMAR1POLBRAB9A
SCHEMBL5193335 0.71 SMN1; SMN2 (0.49) KMT2AMEN1MAPK1SMN1; SMN2GAA
SCHEMBL5193832 0.70 FABP6 (0.46) HTTKMT2AMEN1MAPK1GAA
SCHEMBL27166226 0.70 SIGMAR1 (0.69) KMT2AMEN1MAPK1SMN1; SMN2SIGMAR1
SCHEMBL8944547 0.70 SIGMAR1 (0.56) GAASIGMAR1POLBALDH1A1LMNA
SCHEMBL29713943 0.70 SIGMAR1 (0.56) GAASIGMAR1POLBALDH1A1LMNA

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-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO disclosed