SCHEMBL8580396

SCHEMBL8580396

COC1=CC(=O)c2ccc(C)nc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.56
G6PD P11413 2/20 0.56
DNMT1 P26358 2/20 0.56
TDP2 O95551 2/20 0.53
S100A4 P26447 1/20 0.51
IDO1 P14902 6/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
PTPN1 P18031 1/20 0.42
HKDC1 Q2TB90 3/20 0.42
PAX8 Q06710 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29893359 0.73 CDC25B (0.59) NSD2TDP2S100A4IDO1CDC25A
SCHEMBL5925143 0.72 NSD2 (1.00) NSD2G6PDDNMT1TDP2S100A4
SCHEMBL3722975 0.69 S100A4 (0.59) NSD2G6PDDNMT1TDP2S100A4
SCHEMBL9627801 0.69 CDC25A (0.62) NSD2TDP2S100A4IDO1CDC25A
SCHEMBL9628489 0.69 CDC25A (0.62) NSD2TDP2S100A4IDO1CDC25A
SCHEMBL6294367 0.69 S100A4 (0.62) NSD2G6PDDNMT1TDP2S100A4
SCHEMBL2599222 0.69 S100A4 (1.00) NSD2G6PDDNMT1TDP2S100A4
Water SCHEMBL10372295 0.68 NSD2 (0.58) NSD2G6PDDNMT1TDP2S100A4
2-Methoxy-1,4-Naphthoquinone SCHEMBL29401525 0.67 CDC25B (1.00) NSD2TDP2S100A4IDO1CDC25A
2-Methoxy-1,4-Naphthoquinone SCHEMBL571061 0.67 CDC25B (1.00) NSD2TDP2S100A4IDO1CDC25A

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-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed