SCHEMBL8325697

SCHEMBL8325697

CN1CCc2c(ccc3c2NC(=O)C3=NO)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
PRKCB P05771 2/20 0.32
GSK3B P49841 2/20 0.32
PRKCG P05129 1/20 0.32
PRKCA P17252 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
SCHEMBL8325695 1.00 MAOA (0.34) MAOAMAOBHSP90AA1HSP90AB1GAA
SCHEMBL8328965 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8328966 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8325730 0.84 NOTUM (0.42) MAPTGSK3BLMNA
SCHEMBL8325734 0.84 NOTUM (0.42) MAPTGSK3BLMNA
SCHEMBL8326465 0.82 CES1 (0.40) MAOAMAOBHSP90AA1HSP90AB1KDM4E
SCHEMBL8329197 0.79 ESR1 (0.44)
SCHEMBL8329194 0.79 ESR1 (0.44)
SCHEMBL29516561 0.78 PARP1 (0.46) HPGDL3MBTL1
SCHEMBL8229939 0.78 GRIA1 (0.34) HSP90AA1HSP90AB1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529636-B1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1999-06-23 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP disclosed