SCHEMBL8198247

SCHEMBL8198247

Nc1ccc2c(c1)CC(=O)N2.O=C1Cc2cc([N+](=O)[O-])ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.61
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
TLR9 Q9NR96 1/20 0.60
TDP2 O95551 4/20 0.57
GAA P10253 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
AHR P35869 1/20 0.46
CCNB2 O95067 4/20 0.45
CDK1 P06493 4/20 0.45
CCNB1 P14635 4/20 0.45
GSK3B P49841 4/20 0.45
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
CCNB3 Q8WWL7 4/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44

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
SCHEMBL19954 0.91 PGR (0.71) PGRMEN1LMNAKMT2ATDP2
SCHEMBL22660 0.84 AHR (0.61) PGRTDP2GAAAHRGRIA1
Bromide SCHEMBL9824774 0.83 AHR (0.59) PGRTDP2GAAAHRGRIA1
Hydrochloric Acid SCHEMBL15206761 0.83 AHR (0.59) PGRTDP2GAAAHRGRIA1
SCHEMBL2993057 0.79 TDP2 (0.67) PGRMEN1LMNAMAPTRAB9A
SCHEMBL516986 0.77 KIF11 (0.67) PGRMEN1LMNAKMT2ATDP2
SCHEMBL2616914 0.77 TDP2 (0.73) PGRMEN1LMNAMAPTRAB9A
SCHEMBL3582558 0.76 PGR (0.56) PGRMEN1MAPTRAB9AKMT2A
SCHEMBL3523425 0.76 PGR (1.00) PGRTDP2KIF11GRIA1CACNG8
SCHEMBL2374341 0.75 MAPT (1.00) PGRMEN1LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed